GQW

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

Created:2018-10-04
Last modified:  2018-10-31

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count16
2D diagram of GQW

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Chemical Component Summary

Name~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
FormulaC16 H11 Cl N2 O3 S
Molecular Weight346.788
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
SMILESOpenEye OEToolkits2.0.6c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO
Canonical SMILESCACTVS3.385 ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO
InChIInChI1.03 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)
InChIKeyInChI1.03 FRUVCGVXUWSDQY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4160522
PubChem 134822021
ChEMBL CHEMBL4160522