N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H27N5O3S2/c1-4-9-28-21-7-6-19(33(25,30)31)14-20(21)26-23(28)32-15-22(29)27(10-5-8-24)18-12-16(2)11-17(3)13-18/h6-7,11-14H,4-5,9-10,15H2,1-3H3,(H2,25,30,31)