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

Systemtic Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(2-chlorophenyl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(2-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=C3Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

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