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

Systemtic Name: (2S)-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(cyclohexylmethyl)propanamide Openeye Name: (2S)-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(cyclohexylmethyl)propanamide CAS Name: (2S)-2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(cyclohexylmethyl)propanamide IUPAC Name: (2S)-2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(cyclohexylmethyl)propanamide Traditional Name: (2S)-2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(cyclohexylmethyl)propionamide Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C)C(=O)NCC4CCCCC4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@@H](C)C(=O)NCC4CCCCC4)C#N

InChI

InChI=1S/C24H28N4OS/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/h7-8,11-13,16-17H,3-6,9-10,15H2,1-2H3,(H,26,29)/t16-/m0/s1