2-(4-methylphenyl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide Openeye Name: N-[3-(2-methyl-1-piperidyl)propyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-[3-(2-methyl-1-piperidinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide Traditional Name: N-[3-(2-methylpiperidino)propyl]-2-(p-tolylthio)nicotinamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCCN1CCCNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C22H29N3OS/c1-17-9-11-19(12-10-17)27-22-20(8-5-13-24-22)21(26)23-14-6-16-25-15-4-3-7-18(25)2/h5,8-13,18H,3-4,6-7,14-16H2,1-2H3,(H,23,26)