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

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-sulfanylphenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(4-sulfanylphenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-(4-mercaptophenoxy)ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(4-sulfanylphenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-(4-mercaptophenoxy)ethanone Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=CC=C(C=C2)S)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=CC=C(C=C2)S)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O2S/c1-15-12-24(21(25)14-26-19-7-9-20(27)10-8-19)16(2)11-23(15)13-17-3-5-18(22)6-4-17/h3-10,15-16,27H,11-14H2,1-2H3