1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(3,5-dimethylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-[(3,5-dimethylbenzyl)thio]ethanone Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSCC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSCC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H27ClN2OS/c1-16-10-17(2)12-19(11-16)14-27-15-22(26)25-8-6-24(7-9-25)21-13-20(23)5-4-18(21)3/h4-5,10-13H,6-9,14-15H2,1-3H3