2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[3-(methylthio)phenyl]methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-(3,5-dimethoxybenzyl)-4-[3-(methylthio)benzyl]piperazin-2-yl]ethanol Formula: C23H32N2O3S MolecularWeight: 416.57678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCN(CC2CCO)CC3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCN(CC2CCO)CC3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C23H32N2O3S/c1-27-21-11-19(12-22(14-21)28-2)16-25-9-8-24(17-20(25)7-10-26)15-18-5-4-6-23(13-18)29-3/h4-6,11-14,20,26H,7-10,15-17H2,1-3H3