1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O2S/c1-16-3-6-18(23)15-20(16)24-11-13-25(14-12-24)22(27)10-9-21(26)17-4-7-19(28-2)8-5-17/h3-8,15H,9-14H2,1-2H3