1-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenyl-ethyl]piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenyl-ethyl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(1R)-1-[methyl(3-pyridylmethyl)amino]-2-phenyl-ethyl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[(1R)-1-[methyl(3-pyridinylmethyl)amino]-2-phenylethyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[(1R)-1-[methyl(3-pyridylmethyl)amino]-2-phenyl-ethyl]piperidino]-2-(phenylthio)ethanone Formula: C28H33N3OS MolecularWeight: 459.64612

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=CC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C28H33N3OS/c1-30(21-24-11-8-16-29-20-24)27(19-23-9-4-2-5-10-23)25-14-17-31(18-15-25)28(32)22-33-26-12-6-3-7-13-26/h2-13,16,20,25,27H,14-15,17-19,21-22H2,1H3/t27-/m1/s1