1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylethanone Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]ethanone Formula: C28H27FN4OS MolecularWeight: 486.603583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN4OS/c1-20-6-8-21(9-7-20)18-26-28(31-25-5-3-2-4-24(25)30-26)35-19-27(34)33-16-14-32(15-17-33)23-12-10-22(29)11-13-23/h2-13H,14-19H2,1H3