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

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N-(4-methoxybenzoyl)-N'-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)thiourea
SpectraBase Compound ID ArJob3CI4xp
InChI InChI=1S/C21H16N4O3S/c1-27-16-9-7-13(8-10-16)19(26)25-21(29)23-15-5-2-4-14(12-15)20-24-18-17(28-20)6-3-11-22-18/h2-12H,1H3,(H2,23,25,26,29)
InChIKey LCMFTSBXPCZLTN-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C21H16N4O3S
Exact Mass 404.094312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDDla2hiXGg
Name N-(4-Methoxybenzoyl)-N'-(3-[1,3]oxazolo[4,5-B]pyridin-2-ylphenyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.094311562 u
Formula C21H16N4O3S
InChI InChI=1S/C21H16N4O3S/c1-27-16-9-7-13(8-10-16)19(26)25-21(29)23-15-5-2-4-14(12-15)20-24-18-17(28-20)6-3-11-22-18/h2-12H,1H3,(H2,23,25,26,29)
InChIKey LCMFTSBXPCZLTN-UHFFFAOYSA-N
Molecular Weight 404.444 g/mol
SMILES N(C(NC(C=1C=CC(=CC1)OC)=O)=S)C=1C=C(C2=NC3=C(C=CC=N3)O2)C=CC1