N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C20H21N5O3S3 MolecularWeight: 475.60744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H21N5O3S3/c1-2-10-25-17-8-7-14(31(22,27)28)12-16(17)24-20(25)30-13-19(26)23-15-5-3-4-6-18(15)29-11-9-21/h3-8,12H,2,10-11,13H2,1H3,(H,23,26)(H2,22,27,28)