2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide Openeye Name: 2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-N-(m-tolyl)pyridine-3-carboxamide CAS Name: 2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4,6-dimethyl-N-(3-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4,6-dimethyl-N-(m-tolyl)nicotinamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NC3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NC3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-14-7-6-10-18(11-14)25-21(27)20-15(2)12-16(3)23-22(20)28-13-19(26)24-17-8-4-5-9-17/h6-7,10-12,17H,4-5,8-9,13H2,1-3H3,(H,24,26)(H,25,27)