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

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidino]-2-(4-pyridylthio)ethanone Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)C(=O)CSC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCCN(C3)C(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C23H30N4O2S/c1-29-21-6-4-19(5-7-21)25-13-15-26(16-14-25)20-3-2-12-27(17-20)23(28)18-30-22-8-10-24-11-9-22/h4-11,20H,2-3,12-18H2,1H3/t20-/m0/s1