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N-(4-butoxybenzoyl)-N'-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea

View entire compound with spectra: 2 NMR

N-(4-butoxybenzoyl)-N'-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea
SpectraBase Compound ID Gu8pQWMicXP
InChI InChI=1S/C24H23N5O2S/c1-2-3-15-31-20-12-9-17(10-13-20)23(30)26-24(32)25-18-11-14-21-22(16-18)28-29(27-21)19-7-5-4-6-8-19/h4-14,16H,2-3,15H2,1H3,(H2,25,26,30,32)
InChIKey HJFYFTVLVFKPAH-UHFFFAOYSA-N
Mol Weight 445.54 g/mol
Molecular Formula C24H23N5O2S
Exact Mass 445.157246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xTJcNQAzKv
Name N-(4-Butoxybenzoyl)-N'-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.157246173 u
Formula C24H23N5O2S
InChI InChI=1S/C24H23N5O2S/c1-2-3-15-31-20-12-9-17(10-13-20)23(30)26-24(32)25-18-11-14-21-22(16-18)28-29(27-21)19-7-5-4-6-8-19/h4-14,16H,2-3,15H2,1H3,(H2,25,26,30,32)
InChIKey HJFYFTVLVFKPAH-UHFFFAOYSA-N
Molecular Weight 445.541 g/mol
SMILES N(C(NC(C1=CC=C(OCCCC)C=C1)=O)=S)C1=CC2=NN(N=C2C=C1)C=1C=CC=CC1