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4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]-5-keto-3-(p-anisoylamino)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID 1HYcBXPdZm6
InChI InChI=1S/C28H25FN4O6S/c1-3-39-27(37)18-4-12-21(13-5-18)32-26(36)23(16-24(34)30-20-10-8-19(29)9-11-20)33(28(32)40)31-25(35)17-6-14-22(38-2)15-7-17/h4-15,23H,3,16H2,1-2H3,(H,30,34)(H,31,35)
InChIKey KDNLAPHWHADQEB-UHFFFAOYSA-N
Mol Weight 564.59 g/mol
Molecular Formula C28H25FN4O6S
Exact Mass 564.147884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaIUiPFl5CM
Name 4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]-5-keto-3-(p-anisoylamino)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
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Formula C28H25FN4O6S
InChI InChI=1S/C28H25FN4O6S/c1-3-39-27(37)18-4-12-21(13-5-18)32-26(36)23(16-24(34)30-20-10-8-19(29)9-11-20)33(28(32)40)31-25(35)17-6-14-22(38-2)15-7-17/h4-15,23H,3,16H2,1-2H3,(H,30,34)(H,31,35)
InChIKey KDNLAPHWHADQEB-UHFFFAOYSA-N
Molecular Weight 564.588 g/mol
SMILES N(C(c1ccc(OC)cc1)=O)N1C(N(C(C1CC(Nc1ccc(cc1)F)=O)=O)c1ccc(cc1)C(OCC)=O)=S
SPLASH splash10-03dr-4910000000-0a232d2f515c9ed6754b
Synonyms 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[[(4-methoxyphenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester Ethyl 4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]-3-[(4-methoxybenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate Ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[(4-methoxybenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Ethyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-3-[(4-methoxyphenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate
Wiley ID 1443599