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

Systemtic Name: (E)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-phenylsulfanyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-phenylsulfanyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-3-(phenylthio)-2-propen-1-one IUPAC Name: (E)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-phenylsulfanylprop-2-en-1-one Traditional Name: (E)-3-(phenylthio)-1-(4-veratrylpiperazino)prop-2-en-1-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C=CSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)/C=C/SC3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O3S/c1-26-20-9-8-18(16-21(20)27-2)17-23-11-13-24(14-12-23)22(25)10-15-28-19-6-4-3-5-7-19/h3-10,15-16H,11-14,17H2,1-2H3/b15-10+