1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(4-chlorophenyl)thio]-1-butanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-[(4-chlorophenyl)thio]butan-1-one Formula: C21H24Cl2N2OS MolecularWeight: 423.39906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=C(C=CC(=C2)Cl)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C2=C(C=CC(=C2)Cl)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24Cl2N2OS/c1-3-20(27-18-8-6-16(22)7-9-18)21(26)25-12-10-24(11-13-25)19-14-17(23)5-4-15(19)2/h4-9,14,20H,3,10-13H2,1-2H3