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6-bromo-2-(3-ethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4-quinolinecarboxamide

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6-bromo-2-(3-ethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4-quinolinecarboxamide
SpectraBase Compound ID 1gbiDyf4PEV
InChI InChI=1S/C22H18BrN3O2S/c1-3-28-16-6-4-5-14(9-16)20-11-18(17-10-15(23)7-8-19(17)25-20)21(27)26-22-24-13(2)12-29-22/h4-12H,3H2,1-2H3,(H,24,26,27)
InChIKey SJUXGYWOJDWZQC-UHFFFAOYSA-N
Mol Weight 468.37 g/mol
Molecular Formula C22H18BrN3O2S
Exact Mass 467.030311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHdOKgkIXot
Name 6-Bromo-2-(3-ethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 467.030311004 u
Formula C22H18BrN3O2S
InChI InChI=1S/C22H18BrN3O2S/c1-3-28-16-6-4-5-14(9-16)20-11-18(17-10-15(23)7-8-19(17)25-20)21(27)26-22-24-13(2)12-29-22/h4-12H,3H2,1-2H3,(H,24,26,27)
InChIKey SJUXGYWOJDWZQC-UHFFFAOYSA-N
Molecular Weight 468.369 g/mol
SMILES N(C1=NC(=CS1)C)C(C=1C=2C(=CC=C(C2)Br)N=C(C1)C1=CC(OCC)=CC=C1)=O