2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C22H23FN2O4S/c1-15(26)16-2-4-19(18(23)12-16)24-6-8-25(9-7-24)22(27)14-30-17-3-5-20-21(13-17)29-11-10-28-20/h2-5,12-13H,6-11,14H2,1H3