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4-[[2-(1-ethyl-5-keto-3-nicotinamido-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID KypDa4lPMEB
InChI InChI=1S/C22H23N5O5S/c1-3-26-20(30)17(27(22(26)33)25-19(29)15-6-5-11-23-13-15)12-18(28)24-16-9-7-14(8-10-16)21(31)32-4-2/h5-11,13,17H,3-4,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKey WUWBCHGCWLTZBH-UHFFFAOYSA-N
Mol Weight 469.52 g/mol
Molecular Formula C22H23N5O5S
Exact Mass 469.14199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KasqO5C6t28
Name 4-[[2-(1-ethyl-5-keto-3-nicotinamido-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester
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Formula C22H23N5O5S
InChI InChI=1S/C22H23N5O5S/c1-3-26-20(30)17(27(22(26)33)25-19(29)15-6-5-11-23-13-15)12-18(28)24-16-9-7-14(8-10-16)21(31)32-4-2/h5-11,13,17H,3-4,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKey WUWBCHGCWLTZBH-UHFFFAOYSA-N
Molecular Weight 469.516 g/mol
SMILES N(C(=O)c1cccnc1)N1C(N(C(C1CC(Nc1ccc(cc1)C(OCC)=O)=O)=O)CC)=S
SPLASH splash10-0adi-8900000000-b0ccc51830626c2f2e79
Synonyms 4-[[2-[1-ethyl-5-oxo-3-[[oxo(3-pyridinyl)methyl]amino]-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[1-ethyl-5-oxidanylidene-3-(pyridin-3-ylcarbonylamino)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Ethyl 4-[[2-[1-ethyl-5-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Ethyl 4-[[2-[1-ethyl-5-oxo-3-(pyridine-3-carbonylamino)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Wiley ID 1443605