1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[3-[homoveratryl(methyl)amino]piperidino]-2-(4-pyridylthio)ethanone Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C23H31N3O3S/c1-25(14-10-18-6-7-21(28-2)22(15-18)29-3)19-5-4-13-26(16-19)23(27)17-30-20-8-11-24-12-9-20/h6-9,11-12,15,19H,4-5,10,13-14,16-17H2,1-3H3