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

Systemtic Name: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-cyclopentyl-propanamide Openeye Name: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-cyclopentyl-propanamide CAS Name: (2R)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-cyclopentylpropanamide IUPAC Name: (2R)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-cyclopentylpropanamide Traditional Name: (2R)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-cyclopentyl-propionamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C)C(=O)NC4CCCC4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)NC4CCCC4)C#N

InChI

InChI=1S/C21H22N4OS/c1-13-11-19(27-14(2)21(26)23-15-7-3-4-8-15)25-18-10-6-5-9-17(18)24-20(25)16(13)12-22/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3,(H,23,26)/t14-/m1/s1