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N-{3-ethyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}-2-fluorobenzamide
SpectraBase Compound ID 4eWtFxFZx6d
InChI InChI=1S/C23H25FN4O4S/c1-3-13-32-16-11-9-15(10-12-16)25-20(29)14-19-22(31)27(4-2)23(33)28(19)26-21(30)17-7-5-6-8-18(17)24/h5-12,19H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey HSYPPANHHJQONX-UHFFFAOYSA-N
Mol Weight 472.54 g/mol
Molecular Formula C23H25FN4O4S
Exact Mass 472.158055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27mVZvOEWBu
Name N-{3-Ethyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}-2-fluorobenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.158054634 u
Formula C23H25FN4O4S
InChI InChI=1S/C23H25FN4O4S/c1-3-13-32-16-11-9-15(10-12-16)25-20(29)14-19-22(31)27(4-2)23(33)28(19)26-21(30)17-7-5-6-8-18(17)24/h5-12,19H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey HSYPPANHHJQONX-UHFFFAOYSA-N
Molecular Weight 472.535 g/mol
SMILES N(N1C(CC(NC2=CC=C(C=C2)OCCC)=O)C(N(C1=S)CC)=O)C(C1=C(F)C=CC=C1)=O