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

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(1-ethylsulfonylpiperidin-4-yl)propanamide Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(1-ethylsulfonyl-4-piperidyl)propanamide CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(1-ethylsulfonyl-4-piperidinyl)propanamide IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(1-ethylsulfonylpiperidin-4-yl)propanamide Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(1-esyl-4-piperidyl)propionamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)NC(=O)C(C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)NC(=O)C(C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C23H27N5O3S2/c1-4-33(30,31)27-11-9-17(10-12-27)25-23(29)16(3)32-21-13-15(2)18(14-24)22-26-19-7-5-6-8-20(19)28(21)22/h5-8,13,16-17H,4,9-12H2,1-3H3,(H,25,29)