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

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-27-19-7-5-16(6-8-19)20(25)9-10-21(26)24-13-11-23(12-14-24)18-4-2-3-17(22)15-18/h2-8,15H,9-14H2,1H3