(2R)-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-propanamide CAS Name: (2R)-2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanamide Traditional Name: (2R)-N-benzyl-2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]propionamide Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C)C(=O)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H22N4OS/c1-3-18-13-22(30-16(2)24(29)26-15-17-9-5-4-6-10-17)28-21-12-8-7-11-20(21)27-23(28)19(18)14-25/h4-13,16H,3,15H2,1-2H3,(H,26,29)/t16-/m1/s1