(E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-[2-(phenylthio)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-[2-(phenylthio)ethyl]piperazino]prop-2-en-1-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)N2CCN(CC2)CCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCN(CC2)CCSC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-27-21-10-6-7-19(23(21)28-2)11-12-22(26)25-15-13-24(14-16-25)17-18-29-20-8-4-3-5-9-20/h3-12H,13-18H2,1-2H3/b12-11+