N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[2-[(2-methyl-1-piperidyl)methyl]phenyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[2-[(2-methyl-1-piperidinyl)methyl]phenyl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[(2-methylpiperidino)methyl]benzyl]-2-(methylthio)nicotinamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=CC=CC=C2CNC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1CCCCN1CC2=CC=CC=C2CNC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H27N3OS/c1-16-8-5-6-13-24(16)15-18-10-4-3-9-17(18)14-23-20(25)19-11-7-12-22-21(19)26-2/h3-4,7,9-12,16H,5-6,8,13-15H2,1-2H3,(H,23,25)