1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone

Systemtic Name: 1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone Openeye Name: 1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone CAS Name: 1-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-2-(3,4,5-trimethoxyphenoxy)ethanone IUPAC Name: 1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone Traditional Name: 1-[4-[4-(methylthio)benzyl]piperazino]-2-(3,4,5-trimethoxyphenoxy)ethanone Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H30N2O5S/c1-27-20-13-18(14-21(28-2)23(20)29-3)30-16-22(26)25-11-9-24(10-12-25)15-17-5-7-19(31-4)8-6-17/h5-8,13-14H,9-12,15-16H2,1-4H3