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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCCN2)C3CCN(CC3)CC4=CC=C(C=C4)SC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCCN2)C3CCN(CC3)CC4=CC=C(C=C4)SC5=CC=CC=N5

InChI

InChI=1S/C30H36N4OS/c1-22-8-11-25(33-30(35)28-6-2-4-16-31-28)20-27(22)24-14-18-34(19-15-24)21-23-9-12-26(13-10-23)36-29-7-3-5-17-32-29/h3,5,7-13,17,20,24,28,31H,2,4,6,14-16,18-19,21H2,1H3,(H,33,35)/t28-/m0/s1