1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[3-[4-(o-tolyl)piperazino]piperidino]-2-(2-pyridylthio)ethanone Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)CSC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C23H30N4OS/c1-19-7-2-3-9-21(19)26-15-13-25(14-16-26)20-8-6-12-27(17-20)23(28)18-29-22-10-4-5-11-24-22/h2-5,7,9-11,20H,6,8,12-18H2,1H3