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N-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxamide
SpectraBase Compound ID JaEIQV51Oyd
InChI InChI=1S/C28H24FN5O4S/c1-2-32-16-18(26(36)31-28-30-20-6-3-4-8-24(20)39-28)25(35)17-14-19(29)22(15-21(17)32)33-9-11-34(12-10-33)27(37)23-7-5-13-38-23/h3-8,13-16H,2,9-12H2,1H3,(H,30,31,36)
InChIKey MNQGHXBGFSBUIL-UHFFFAOYSA-N
Mol Weight 545.59 g/mol
Molecular Formula C28H24FN5O4S
Exact Mass 545.153304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IVDiR5D3EN
Name N-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxamide
Alternate Name(s) N-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-quinoline-3-carboxamide N-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxamide N-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxamide
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Formula C28H24FN5O4S
InChI InChI=1S/C28H24FN5O4S/c1-2-32-16-18(26(36)31-28-30-20-6-3-4-8-24(20)39-28)25(35)17-14-19(29)22(15-21(17)32)33-9-11-34(12-10-33)27(37)23-7-5-13-38-23/h3-8,13-16H,2,9-12H2,1H3,(H,30,31,36)
InChIKey MNQGHXBGFSBUIL-UHFFFAOYSA-N
Molecular Weight 545.589 g/mol
SMILES N(c1nc2ccccc2s1)C(C=1C(c2cc(F)c(cc2N(C1)CC)N1CCN(C(c2occc2)=O)CC1)=O)=O
SPLASH splash10-000e-9102000000-9b0b59a7503168598a81
Wiley ID 1457724