1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[(3,4-dimethoxyphenyl)thio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C20H23ClN2O3S/c1-25-18-7-6-17(13-19(18)26-2)27-14-20(24)23-10-8-22(9-11-23)16-5-3-4-15(21)12-16/h3-7,12-13H,8-11,14H2,1-2H3