N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-methylbenzimidazol-2-yl)thio]-N-p-phenetyl-acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C21H22N4O2S/c1-3-27-17-11-9-16(10-12-17)25(14-6-13-22)20(26)15-28-21-23-18-7-4-5-8-19(18)24(21)2/h4-5,7-12H,3,6,14-15H2,1-2H3