2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-(4H-3,1-benzothiazin-2-ylthio)ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-(4H-3,1-benzothiazin-2-ylthio)ethanone Formula: C22H22FN3O2S2 MolecularWeight: 443.557383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4CS3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4CS3)F

InChI

InChI=1S/C22H22FN3O2S2/c1-15(27)16-6-7-20(18(23)12-16)25-8-10-26(11-9-25)21(28)14-30-22-24-19-5-3-2-4-17(19)13-29-22/h2-7,12H,8-11,13-14H2,1H3