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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(3,4-dimethoxyphenyl)thio]ethanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25ClN2O3S/c1-15-4-5-16(22)12-18(15)23-8-10-24(11-9-23)21(25)14-28-17-6-7-19(26-2)20(13-17)27-3/h4-7,12-13H,8-11,14H2,1-3H3