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

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(cyclopentylcarbamoyl)ethanamide Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[(cyclopentylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(cyclopentylcarbamoyl)acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-13-10-19(29-12-18(27)25-21(28)23-14-6-2-3-7-14)26-17-9-5-4-8-16(17)24-20(26)15(13)11-22/h4-5,8-10,14H,2-3,6-7,12H2,1H3,(H2,23,25,27,28)