2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-veratryl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2CCC#N)OC

InChI

InChI=1S/C21H22N4O3S/c1-27-18-9-8-15(12-19(18)28-2)13-23-20(26)14-29-21-24-16-6-3-4-7-17(16)25(21)11-5-10-22/h3-4,6-9,12H,5,11,13-14H2,1-2H3,(H,23,26)