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4-[3-[(3-fluorobenzoyl)amino]-5-keto-4-[2-keto-2-(m-phenetidino)ethyl]-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID JqDEx5lWM5C
InChI InChI=1S/C29H27FN4O6S/c1-3-39-23-10-6-9-21(16-23)31-25(35)17-24-27(37)33(22-13-11-18(12-14-22)28(38)40-4-2)29(41)34(24)32-26(36)19-7-5-8-20(30)15-19/h5-16,24H,3-4,17H2,1-2H3,(H,31,35)(H,32,36)
InChIKey SOVKZCGEXLVSLM-UHFFFAOYSA-N
Mol Weight 578.62 g/mol
Molecular Formula C29H27FN4O6S
Exact Mass 578.163534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2k3cSgDQWbo
Name 4-[3-[(3-fluorobenzoyl)amino]-5-keto-4-[2-keto-2-(m-phenetidino)ethyl]-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[4-[2-(3-ethoxyanilino)-2-oxoethyl]-3-[[(3-fluorophenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester Ethyl 4-[4-[2-(3-ethoxyanilino)-2-oxo-ethyl]-3-[(3-fluorobenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate Ethyl 4-[4-[2-(3-ethoxyanilino)-2-oxoethyl]-3-[(3-fluorobenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Ethyl 4-[4-[2-[(3-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-[(3-fluorophenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate
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Formula C29H27FN4O6S
InChI InChI=1S/C29H27FN4O6S/c1-3-39-23-10-6-9-21(16-23)31-25(35)17-24-27(37)33(22-13-11-18(12-14-22)28(38)40-4-2)29(41)34(24)32-26(36)19-7-5-8-20(30)15-19/h5-16,24H,3-4,17H2,1-2H3,(H,31,35)(H,32,36)
InChIKey SOVKZCGEXLVSLM-UHFFFAOYSA-N
Molecular Weight 578.615 g/mol
SMILES N(C(c1cccc(F)c1)=O)N1C(N(C(C1CC(Nc1cc(ccc1)OCC)=O)=O)c1ccc(cc1)C(OCC)=O)=S
SPLASH splash10-03di-5920000000-5830df23a204fdf3bbff
Wiley ID 1443530