N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(1-methyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(1-methyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1-methyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(1-methyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-methyl-5-sulfamoyl-benzimidazol-2-yl)thio]-N-(p-tolyl)acetamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C20H21N5O3S2/c1-14-4-6-15(7-5-14)25(11-3-10-21)19(26)13-29-20-23-17-12-16(30(22,27)28)8-9-18(17)24(20)2/h4-9,12H,3,11,13H2,1-2H3,(H2,22,27,28)