N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylsulfanyl]phenyl]-4-fluoro-benzamide CAS Name: N-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylthio]phenyl]-4-fluoro-benzamide Formula: C25H23FN2O4S MolecularWeight: 466.524523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O4S/c1-2-23(25(30)28-19-10-11-21-22(15-19)32-13-12-31-21)33-20-5-3-4-18(14-20)27-24(29)16-6-8-17(26)9-7-16/h3-11,14-15,23H,2,12-13H2,1H3,(H,27,29)(H,28,30)