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

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-25-19-9-8-18(14-20(19)26-2)27-16-21(24)23-12-10-22(11-13-23)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3