N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide Openeye Name: 6-[2-(1-piperidyl)ethylsulfanyl]-N-[[1-(p-tolylmethyl)-4-piperidyl]methyl]pyridine-3-carboxamide CAS Name: N-[[1-[(4-methylphenyl)methyl]-4-piperidinyl]methyl]-6-[2-(1-piperidinyl)ethylthio]-3-pyridinecarboxamide IUPAC Name: N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[[1-(4-methylbenzyl)-4-piperidyl]methyl]-6-(2-piperidinoethylthio)nicotinamide Formula: C27H38N4OS MolecularWeight: 466.68182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)C3=CN=C(C=C3)SCCN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)C3=CN=C(C=C3)SCCN4CCCCC4

InChI

InChI=1S/C27H38N4OS/c1-22-5-7-24(8-6-22)21-31-15-11-23(12-16-31)19-29-27(32)25-9-10-26(28-20-25)33-18-17-30-13-3-2-4-14-30/h5-10,20,23H,2-4,11-19,21H2,1H3,(H,29,32)