1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol

Systemtic Name: 1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol Openeye Name: 1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol CAS Name: 1-[4-[2-(methylthio)phenyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenoxy)-2-propanol IUPAC Name: 1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol Traditional Name: 1-[4-[2-(methylthio)phenyl]piperazino]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3SC)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3SC)O

InChI

InChI=1S/C23H32N2O5S/c1-27-20-13-18(14-21(28-2)23(20)29-3)30-16-17(26)15-24-9-11-25(12-10-24)19-7-5-6-8-22(19)31-4/h5-8,13-14,17,26H,9-12,15-16H2,1-4H3