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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-[2-(phenylthio)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-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=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CCSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O3S/c1-27-21-10-8-19(18-22(21)28-2)9-11-23(26)25-14-12-24(13-15-25)16-17-29-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3/b11-9+