2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-cyclopentyl-ethanamide

Systemtic Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-cyclopentylacetamide IUPAC Name: 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-cyclopentyl-acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4CCCC4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4CCCC4)C#N

InChI

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