N-[2-(azepan-1-yl)propyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)propyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)propyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)propyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)propyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)propyl]-2-(phenylthio)nicotinamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CC(CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C21H27N3OS/c1-17(24-14-7-2-3-8-15-24)16-23-20(25)19-12-9-13-22-21(19)26-18-10-5-4-6-11-18/h4-6,9-13,17H,2-3,7-8,14-16H2,1H3,(H,23,25)