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N-{3-[(3,4,5-trimethoxybenzoyl)amino]phenyl}-2-thiophenecarboxamide

View entire compound with spectra: 2 NMR

N-{3-[(3,4,5-trimethoxybenzoyl)amino]phenyl}-2-thiophenecarboxamide
SpectraBase Compound ID Dk5JXuVcMR6
InChI InChI=1S/C21H20N2O5S/c1-26-16-10-13(11-17(27-2)19(16)28-3)20(24)22-14-6-4-7-15(12-14)23-21(25)18-8-5-9-29-18/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKey XYHVRXPIWOEQIL-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C21H20N2O5S
Exact Mass 412.109293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97lXEQiB6QS
Name N-{3-[(3,4,5-Trimethoxybenzoyl)amino]phenyl}-2-thiophenecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.109292921 u
Formula C21H20N2O5S
InChI InChI=1S/C21H20N2O5S/c1-26-16-10-13(11-17(27-2)19(16)28-3)20(24)22-14-6-4-7-15(12-14)23-21(25)18-8-5-9-29-18/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKey XYHVRXPIWOEQIL-UHFFFAOYSA-N
Molecular Weight 412.460 g/mol
SMILES N(C(C1=CC(OC)=C(C(=C1)OC)OC)=O)C=1C=C(NC(C=2SC=CC2)=O)C=CC1