N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-phenyl-propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

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