2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C22H27FN2O3S/c1-16-12-20(27-2)21(28-3)13-17(16)14-29-15-22(26)25-10-8-24(9-11-25)19-6-4-18(23)5-7-19/h4-7,12-13H,8-11,14-15H2,1-3H3