N-[4-methyl-3-[1-[(4-pyridin-2-ylsulfanylphenyl)methyl]piperidin-4-yl]phenyl]piperidine-4-carboxamide

Systemtic Name: N-[4-methyl-3-[1-[(4-pyridin-2-ylsulfanylphenyl)methyl]piperidin-4-yl]phenyl]piperidine-4-carboxamide Openeye Name: N-[4-methyl-3-[1-[[4-(2-pyridylsulfanyl)phenyl]methyl]-4-piperidyl]phenyl]piperidine-4-carboxamide CAS Name: N-[4-methyl-3-[1-[[4-(2-pyridinylthio)phenyl]methyl]-4-piperidinyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[4-methyl-3-[1-[(4-pyridin-2-ylsulfanylphenyl)methyl]piperidin-4-yl]phenyl]piperidine-4-carboxamide Traditional Name: N-[4-methyl-3-[1-[4-(2-pyridylthio)benzyl]-4-piperidyl]phenyl]isonipecotamide Formula: C30H36N4OS MolecularWeight: 500.69804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCNCC2)C3CCN(CC3)CC4=CC=C(C=C4)SC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCNCC2)C3CCN(CC3)CC4=CC=C(C=C4)SC5=CC=CC=N5

InChI

InChI=1S/C30H36N4OS/c1-22-5-8-26(33-30(35)25-11-16-31-17-12-25)20-28(22)24-13-18-34(19-14-24)21-23-6-9-27(10-7-23)36-29-4-2-3-15-32-29/h2-10,15,20,24-25,31H,11-14,16-19,21H2,1H3,(H,33,35)