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N-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-N'-(9,10-dioxo-9,10-dihydro-2-anthracenyl)thiourea

View entire compound with spectra: 2 NMR

N-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-N'-(9,10-dioxo-9,10-dihydro-2-anthracenyl)thiourea
SpectraBase Compound ID ArEoVaH1B82
InChI InChI=1S/C26H20N2O5S/c1-32-21-11-7-15(13-22(21)33-2)8-12-23(29)28-26(34)27-16-9-10-19-20(14-16)25(31)18-6-4-3-5-17(18)24(19)30/h3-14H,1-2H3,(H2,27,28,29,34)/b12-8+
InChIKey QFUIIMIXXMJLDL-XYOKQWHBSA-N
Mol Weight 472.52 g/mol
Molecular Formula C26H20N2O5S
Exact Mass 472.109293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiEcu2wk578
Name N-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]-N'-(9,10-dioxo-9,10-dihydro-2-anthracenyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.109292921 u
Formula C26H20N2O5S
InChI InChI=1S/C26H20N2O5S/c1-32-21-11-7-15(13-22(21)33-2)8-12-23(29)28-26(34)27-16-9-10-19-20(14-16)25(31)18-6-4-3-5-17(18)24(19)30/h3-14H,1-2H3,(H2,27,28,29,34)/b12-8+
InChIKey QFUIIMIXXMJLDL-XYOKQWHBSA-N
Molecular Weight 472.515 g/mol
SMILES N(C(NC(\C=C\C1=CC(OC)=C(C=C1)OC)=O)=S)C1=CC=2C(C=3C=CC=CC3C(C2C=C1)=O)=O