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thiourea, N-(4-ethoxybenzoyl)-N'-[4-(4-pyridinylmethyl)phenyl]-

View entire compound with spectra: 2 NMR

thiourea, N-(4-ethoxybenzoyl)-N'-[4-(4-pyridinylmethyl)phenyl]-
SpectraBase Compound ID BSq9wtvJBXH
InChI InChI=1S/C22H21N3O2S/c1-2-27-20-9-5-18(6-10-20)21(26)25-22(28)24-19-7-3-16(4-8-19)15-17-11-13-23-14-12-17/h3-14H,2,15H2,1H3,(H2,24,25,26,28)
InChIKey RGYXBZLIHNUCLZ-UHFFFAOYSA-N
Mol Weight 391.49 g/mol
Molecular Formula C22H21N3O2S
Exact Mass 391.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzJ2TGMS55p
Name Thiourea, N-(4-ethoxybenzoyl)-N'-[4-(4-pyridinylmethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.135448100 u
Formula C22H21N3O2S
InChI InChI=1S/C22H21N3O2S/c1-2-27-20-9-5-18(6-10-20)21(26)25-22(28)24-19-7-3-16(4-8-19)15-17-11-13-23-14-12-17/h3-14H,2,15H2,1H3,(H2,24,25,26,28)
InChIKey RGYXBZLIHNUCLZ-UHFFFAOYSA-N
Molecular Weight 391.489 g/mol
SMILES N(C(NC=1C=CC(=CC1)CC=1C=CN=CC1)=S)C(C1=CC=C(C=C1)OCC)=O