N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3N2C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3N2C)C

InChI

InChI=1S/C21H22N4OS/c1-15-11-16(2)13-17(12-15)25(10-6-9-22)20(26)14-27-21-23-18-7-4-5-8-19(18)24(21)3/h4-5,7-8,11-13H,6,10,14H2,1-3H3