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LV4 : Summary
Code ![](/pdbe/static/images/help.png)
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LV4
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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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1-[2-(trifluoromethyloxy)phenyl]thiourea
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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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C8 H7 F3 N2 O 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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236.214 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
NC(=S)Nc1ccccc1OC(F)(F)F |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(c(c1)NC(=S)N)OC(F)(F)F |
Canonical SMILES
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CACTVS |
3.385 |
NC(=S)Nc1ccccc1OC(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(c(c1)NC(=S)N)OC(F)(F)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HYKOSRYWIURWQI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (15 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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2019-03-15
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Last modified at ![](/pdbe/static/images/help.png)
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2019-07-05
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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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