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4-[4-(2-amino-2-keto-ethyl)-3-[(3-fluorobenzoyl)amino]-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID 42ZhIZgsJuJ
InChI InChI=1S/C21H19FN4O5S/c1-2-31-20(30)12-6-8-15(9-7-12)25-19(29)16(11-17(23)27)26(21(25)32)24-18(28)13-4-3-5-14(22)10-13/h3-10,16H,2,11H2,1H3,(H2,23,27)(H,24,28)
InChIKey HJXZIFZYUGQBGN-UHFFFAOYSA-N
Mol Weight 458.46 g/mol
Molecular Formula C21H19FN4O5S
Exact Mass 458.106019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjEk23QDg
Name 4-[4-(2-amino-2-keto-ethyl)-3-[(3-fluorobenzoyl)amino]-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[4-(2-amino-2-oxoethyl)-3-[[(3-fluorophenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester Ethyl 4-[4-(2-amino-2-oxo-ethyl)-3-[(3-fluorobenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate Ethyl 4-[4-(2-amino-2-oxoethyl)-3-[(3-fluorobenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethyl)-3-[(3-fluorophenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate
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Formula C21H19FN4O5S
InChI InChI=1S/C21H19FN4O5S/c1-2-31-20(30)12-6-8-15(9-7-12)25-19(29)16(11-17(23)27)26(21(25)32)24-18(28)13-4-3-5-14(22)10-13/h3-10,16H,2,11H2,1H3,(H2,23,27)(H,24,28)
InChIKey HJXZIFZYUGQBGN-UHFFFAOYSA-N
Molecular Weight 458.464 g/mol
SMILES N(C(c1cc(F)ccc1)=O)N1C(N(C(C1CC(N)=O)=O)c1ccc(cc1)C(OCC)=O)=S
SPLASH splash10-0229-7910000000-da8c4c7711780dcd3973
Wiley ID 1443535