Chemical Components in the PDB

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GQW : Summary

Code

GQW

One-letter code

X

Molecule name

~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide

Formula

C16 H11 Cl N2 O3 S

Formal charge

0

Molecular weight

346.788 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
SMILES OpenEye OEToolkits 2.0.6 c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO

IUPAC InChI

InChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20)

IUPAC InChI key

FRUVCGVXUWSDQY-UHFFFAOYSA-N
GQW

wwPDB Information

Atom count

34 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-04

Last modified at

2018-10-26

Status

Released

Obsoleted

Not Assigned