1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(p-tolylmethylsulfanyl)propan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-[(4-methylphenyl)methylthio]-1-propanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-[(4-methylbenzyl)thio]propan-1-one Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2OS/c1-17-3-6-19(7-4-17)16-27-14-9-22(26)25-12-10-24(11-13-25)21-15-20(23)8-5-18(21)2/h3-8,15H,9-14,16H2,1-2H3