N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-[(4-methylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(p-tolylthio)nicotinamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCN3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCN3CCCCCC3

InChI

InChI=1S/C21H27N3OS/c1-17-8-10-18(11-9-17)26-21-19(7-6-12-23-21)20(25)22-13-16-24-14-4-2-3-5-15-24/h6-12H,2-5,13-16H2,1H3,(H,22,25)