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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(4-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-[(4-methylbenzyl)thio]ethanone Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2OS/c1-16-3-6-18(7-4-16)14-26-15-21(25)24-11-9-23(10-12-24)20-13-19(22)8-5-17(20)2/h3-8,13H,9-12,14-15H2,1-2H3