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Ethyl 4-({[3-[(2-fluorobenzoyl)amino]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
SpectraBase Compound ID HSuBHXwkivG
InChI InChI=1S/C28H25FN4O6S/c1-3-39-27(37)17-8-10-18(11-9-17)30-24(34)16-23-26(36)32(19-12-14-20(38-2)15-13-19)28(40)33(23)31-25(35)21-6-4-5-7-22(21)29/h4-15,23H,3,16H2,1-2H3,(H,30,34)(H,31,35)
InChIKey QNZABMSXPMRZHC-UHFFFAOYSA-N
Mol Weight 564.59 g/mol
Molecular Formula C28H25FN4O6S
Exact Mass 564.147884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqqgRnj6YQC
Name Ethyl 4-({[3-[(2-fluorobenzoyl)amino]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 564.147883872 u
Formula C28H25FN4O6S
InChI InChI=1S/C28H25FN4O6S/c1-3-39-27(37)17-8-10-18(11-9-17)30-24(34)16-23-26(36)32(19-12-14-20(38-2)15-13-19)28(40)33(23)31-25(35)21-6-4-5-7-22(21)29/h4-15,23H,3,16H2,1-2H3,(H,30,34)(H,31,35)
InChIKey QNZABMSXPMRZHC-UHFFFAOYSA-N
Molecular Weight 564.588 g/mol
SMILES N(N1C(CC(NC=2C=CC(C(=O)OCC)=CC2)=O)C(N(C1=S)C=1C=CC(=CC1)OC)=O)C(C1=C(F)C=CC=C1)=O