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NXN : Summary
Code ![](/pdbe/static/images/help.png)
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NXN
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C10 H11 Cl2 N O2 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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280.171 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1cc(Cl)ccc1OCC(=O)NCCS |
SMILES
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CACTVS |
3.341 |
SCCNC(=O)COc1ccc(Cl)cc1Cl |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1Cl)Cl)OCC(=O)NCCS |
Canonical SMILES
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CACTVS |
3.341 |
SCCNC(=O)COc1ccc(Cl)cc1Cl |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1Cl)Cl)OCC(=O)NCCS |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H11Cl2NO2S/c11-7-1-2-9(8(12)5-7)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZKLFUOFLXGWIIY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (16 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2004-02-27
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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