1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C23H28N2O2S/c1-17-5-4-6-21(18(17)2)24-13-15-25(16-14-24)23(27)12-11-22(26)19-7-9-20(28-3)10-8-19/h4-10H,11-16H2,1-3H3