[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: (4-methylsulfanylphenyl)-[3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]methanone CAS Name: [3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [4-(methylthio)phenyl]-[3-[4-(o-tolyl)piperazino]piperidino]methanone Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H31N3OS/c1-19-6-3-4-8-23(19)26-16-14-25(15-17-26)21-7-5-13-27(18-21)24(28)20-9-11-22(29-2)12-10-20/h3-4,6,8-12,21H,5,7,13-18H2,1-2H3