(2R)-N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(1-ethyl-2-benzimidazolyl)thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(1-ethylbenzimidazol-2-yl)thio]-N-phenyl-propionamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1S[C@H](C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-3-24-19-13-8-7-12-18(19)23-21(24)27-16(2)20(26)25(15-9-14-22)17-10-5-4-6-11-17/h4-8,10-13,16H,3,9,15H2,1-2H3/t16-/m1/s1