1-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[benzyl(methyl)amino]-1-piperidyl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-3-[methyl-(phenylmethyl)amino]-1-piperidinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-[benzyl(methyl)amino]piperidino]-2-(2-pyridylthio)ethanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCCN(C2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H25N3OS/c1-22(14-17-8-3-2-4-9-17)18-10-7-13-23(15-18)20(24)16-25-19-11-5-6-12-21-19/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/t18-/m0/s1