1-[4-(2-methylphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)-4-[4-(o-tolyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-[4-(2-methylphenyl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(methylthio)phenyl]-4-[4-(o-tolyl)piperazino]butane-1,4-dione Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N2O2S/c1-17-5-3-4-6-20(17)23-13-15-24(16-14-23)22(26)12-11-21(25)18-7-9-19(27-2)10-8-18/h3-10H,11-16H2,1-2H3