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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-(p-tolylthio)propan-1-one Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2OS/c1-15-4-8-19(9-5-15)26-17(3)21(25)24-12-10-23(11-13-24)20-14-18(22)7-6-16(20)2/h4-9,14,17H,10-13H2,1-3H3