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

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N-(2-methoxybenzoyl)-N'-(4-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)thiourea
SpectraBase Compound ID FbfbNU2lrWZ
InChI InChI=1S/C21H16N4O3S/c1-27-16-6-3-2-5-15(16)19(26)25-21(29)23-14-10-8-13(9-11-14)20-24-18-17(28-20)7-4-12-22-18/h2-12H,1H3,(H2,23,25,26,29)
InChIKey KXVXRHLERRCKBB-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 FJUoi7bWODx
Name N-(2-Methoxybenzoyl)-N'-(4-[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/c1-27-16-6-3-2-5-15(16)19(26)25-21(29)23-14-10-8-13(9-11-14)20-24-18-17(28-20)7-4-12-22-18/h2-12H,1H3,(H2,23,25,26,29)
InChIKey KXVXRHLERRCKBB-UHFFFAOYSA-N
Molecular Weight 404.444 g/mol
SMILES N(C(C=1C(OC)=CC=CC1)=O)C(NC1=CC=C(C2=NC3=C(C=CC=N3)O2)C=C1)=S