N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-p-phenetyl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-3-28-16-7-5-15(6-8-16)25(12-4-11-22)20(26)14-29-21-23-18-10-9-17(27-2)13-19(18)24-21/h5-10,13H,3-4,12,14H2,1-2H3,(H,23,24)