2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-27-21-11-10-20(17-22(21)28-2)29-18-23(26)25-15-13-24(14-16-25)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16,18H2,1-2H3/b9-6+