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2-(4-bromophenyl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-4-quinolinecarboxamide

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2-(4-bromophenyl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-4-quinolinecarboxamide
SpectraBase Compound ID LxhoKakhlWX
InChI InChI=1S/C25H17BrN4O3S2/c26-17-7-5-16(6-8-17)23-15-21(20-3-1-2-4-22(20)29-23)24(31)28-18-9-11-19(12-10-18)35(32,33)30-25-27-13-14-34-25/h1-15H,(H,27,30)(H,28,31)
InChIKey CQXUBUCZGMQRON-UHFFFAOYSA-N
Mol Weight 565.46 g/mol
Molecular Formula C25H17BrN4O3S2
Exact Mass 563.992546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TdOg7TLnMt
Name 2-(4-Bromophenyl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 563.992545768 u
Formula C25H17BrN4O3S2
InChI InChI=1S/C25H17BrN4O3S2/c26-17-7-5-16(6-8-17)23-15-21(20-3-1-2-4-22(20)29-23)24(31)28-18-9-11-19(12-10-18)35(32,33)30-25-27-13-14-34-25/h1-15H,(H,27,30)(H,28,31)
InChIKey CQXUBUCZGMQRON-UHFFFAOYSA-N
Molecular Weight 565.460 g/mol
SMILES N(C(C=1C=C(C2=CC=C(Br)C=C2)N=C2C1C=CC=C2)=O)C1=CC=C(S(NC2=NC=CS2)(=O)=O)C=C1