1-(4-methyl-3-phenyl-piperazin-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-(4-methyl-3-phenyl-piperazin-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-(4-methyl-3-phenyl-piperazin-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-(4-methyl-3-phenyl-1-piperazinyl)-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-(4-methyl-3-phenylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-(4-methyl-3-phenyl-piperazino)-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1CCN(CC1C2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

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