3-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)propanamide

Systemtic Name: 3-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)propanamide Openeye Name: 3-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(cyclopentylcarbamoyl)propanamide CAS Name: 3-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[(cyclopentylamino)-oxomethyl]propanamide IUPAC Name: 3-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)propanamide Traditional Name: 3-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(cyclopentylcarbamoyl)propionamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCC(=O)NC(=O)NC2CCCC2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCC(=O)NC(=O)NC2CCCC2)C#N)C(=O)C

InChI

InChI=1S/C18H22N4O3S/c1-11-15(12(2)23)9-13(10-19)17(20-11)26-8-7-16(24)22-18(25)21-14-5-3-4-6-14/h9,14H,3-8H2,1-2H3,(H2,21,22,24,25)