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N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-N'-(phenylacetyl)thiourea

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N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-N'-(phenylacetyl)thiourea
SpectraBase Compound ID HDg16mFu4H0
InChI InChI=1S/C22H18N4O2S/c1-14-16(21-26-20-18(28-21)11-6-12-23-20)9-5-10-17(14)24-22(29)25-19(27)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,24,25,27,29)
InChIKey BKPQCTRSNBLYFK-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C22H18N4O2S
Exact Mass 402.115047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAqk8p96pGe
Name N-(2-Methyl-3-[1,3]oxazolo[4,5-B]pyridin-2-ylphenyl)-N'-(phenylacetyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 402.115047008 u
Formula C22H18N4O2S
InChI InChI=1S/C22H18N4O2S/c1-14-16(21-26-20-18(28-21)11-6-12-23-20)9-5-10-17(14)24-22(29)25-19(27)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,24,25,27,29)
InChIKey BKPQCTRSNBLYFK-UHFFFAOYSA-N
Molecular Weight 402.472 g/mol
SMILES N(C(NC(=O)CC=1C=CC=CC1)=S)C1=C(C(C2=NC=3N=CC=CC3O2)=CC=C1)C