2-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C22H25FN2O2S MolecularWeight: 400.509503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C

InChI

InChI=1S/C22H25FN2O2S/c1-15-4-6-19(12-16(15)2)28-14-22(27)25-10-8-24(9-11-25)21-7-5-18(17(3)26)13-20(21)23/h4-7,12-13H,8-11,14H2,1-3H3