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2-{3-[2-(4-fluorophenyl)ethyl]-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide
SpectraBase Compound ID 5RSHZrREz5C
InChI InChI=1S/C28H28FN3O3S/c1-2-18-35-24-14-12-22(13-15-24)30-26(33)19-25-27(34)32(23-6-4-3-5-7-23)28(36)31(25)17-16-20-8-10-21(29)11-9-20/h3-15,25H,2,16-19H2,1H3,(H,30,33)
InChIKey UKUXOMVINNNGIT-UHFFFAOYSA-N
Mol Weight 505.61 g/mol
Molecular Formula C28H28FN3O3S
Exact Mass 505.183541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQfAHs5C2E1
Name 2-{3-[2-(4-Fluorophenyl)ethyl]-5-oxo-1-phenyl-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.183541108 u
Formula C28H28FN3O3S
InChI InChI=1S/C28H28FN3O3S/c1-2-18-35-24-14-12-22(13-15-24)30-26(33)19-25-27(34)32(23-6-4-3-5-7-23)28(36)31(25)17-16-20-8-10-21(29)11-9-20/h3-15,25H,2,16-19H2,1H3,(H,30,33)
InChIKey UKUXOMVINNNGIT-UHFFFAOYSA-N
Molecular Weight 505.608 g/mol
SMILES N(C(CC1C(N(C(N1CCC1=CC=C(C=C1)F)=S)C1=CC=CC=C1)=O)=O)C=1C=CC(=CC1)OCCC