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

Systemtic Name: (2R)-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-phenyl-propanamide Openeye Name: (2R)-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-phenyl-propanamide CAS Name: (2R)-2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-phenylpropanamide IUPAC Name: (2R)-2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-phenylpropanamide Traditional Name: (2R)-2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-phenyl-propionamide Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C)C(=O)NC4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H20N4OS/c1-3-16-13-21(29-15(2)23(28)25-17-9-5-4-6-10-17)27-20-12-8-7-11-19(20)26-22(27)18(16)14-24/h4-13,15H,3H2,1-2H3,(H,25,28)/t15-/m1/s1