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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(4-methoxyphenyl)thio]-1-propanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-[(4-methoxyphenyl)thio]propan-1-one Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25ClN2O2S/c1-15-4-5-17(22)14-20(15)23-10-12-24(13-11-23)21(25)16(2)27-19-8-6-18(26-3)7-9-19/h4-9,14,16H,10-13H2,1-3H3