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2-(4-bromophenyl)-N-{5-[(dimethylamino)carbonyl]-4-methyl-1,3-thiazol-2-yl}-4-quinolinecarboxamide
SpectraBase Compound ID GXGHlQ5QA0s
InChI InChI=1S/C23H19BrN4O2S/c1-13-20(22(30)28(2)3)31-23(25-13)27-21(29)17-12-19(14-8-10-15(24)11-9-14)26-18-7-5-4-6-16(17)18/h4-12H,1-3H3,(H,25,27,29)
InChIKey QNZGZCOORNREJK-UHFFFAOYSA-N
Mol Weight 495.4 g/mol
Molecular Formula C23H19BrN4O2S
Exact Mass 494.04121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID SYLyyXGsHF
Name 2-(4-Bromophenyl)-N-{5-[(dimethylamino)carbonyl]-4-methyl-1,3-thiazol-2-yl}-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 494.041210040 u
Formula C23H19BrN4O2S
InChI InChI=1S/C23H19BrN4O2S/c1-13-20(22(30)28(2)3)31-23(25-13)27-21(29)17-12-19(14-8-10-15(24)11-9-14)26-18-7-5-4-6-16(17)18/h4-12H,1-3H3,(H,25,27,29)
InChIKey QNZGZCOORNREJK-UHFFFAOYSA-N
Molecular Weight 495.395 g/mol
SMILES N(C=1SC(=C(N1)C)C(N(C)C)=O)C(C1=CC(C2=CC=C(Br)C=C2)=NC2=C1C=CC=C2)=O