1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-methylsulfanylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-methylsulfanylphenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-methylsulfanylphenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-[2-(methylthio)phenoxy]ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-methylsulfanylphenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-[2-(methylthio)phenoxy]ethanone Formula: C22H27FN2O2S MolecularWeight: 402.525383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=CC=CC=C2SC)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=CC=CC=C2SC)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O2S/c1-16-13-25(22(26)15-27-20-6-4-5-7-21(20)28-3)17(2)12-24(16)14-18-8-10-19(23)11-9-18/h4-11,16-17H,12-15H2,1-3H3