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4-[[2-[3-[2-(4-morpholinyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester
SpectraBase Compound ID 4hAtJyTzL7t
InChI InChI=1S/C26H27F3N4O5S/c1-37-24(36)17-5-7-19(8-6-17)30-22(34)16-21-23(35)33(20-4-2-3-18(15-20)26(27,28)29)25(39)32(21)10-9-31-11-13-38-14-12-31/h2-8,15,21H,9-14,16H2,1H3,(H,30,34)
InChIKey BTJKOIJJZGXKJC-UHFFFAOYSA-N
Mol Weight 564.58 g/mol
Molecular Formula C26H27F3N4O5S
Exact Mass 564.165426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62SwPa0zuso
Name 4-[[2-[3-[2-(4-morpholinyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester
Alternate Name(s) 4-[[2-[5-keto-3-(2-morpholinoethyl)-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Methyl 4-[2-[3-(2-morpholin-4-ylethyl)-5-oxidanylidene-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]ethanoylamino]benzoate Methyl 4-[[2-[3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]acetyl]amino]benzoate Methyl 4-[[2-[3-(2-morpholinoethyl)-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]acetyl]amino]benzoate
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Formula C26H27F3N4O5S
InChI InChI=1S/C26H27F3N4O5S/c1-37-24(36)17-5-7-19(8-6-17)30-22(34)16-21-23(35)33(20-4-2-3-18(15-20)26(27,28)29)25(39)32(21)10-9-31-11-13-38-14-12-31/h2-8,15,21H,9-14,16H2,1H3,(H,30,34)
InChIKey BTJKOIJJZGXKJC-UHFFFAOYSA-N
Molecular Weight 564.580 g/mol
SMILES N(C(CC1C(N(C(N1CCN1CCOCC1)=S)c1cc(C(F)(F)F)ccc1)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-0udi-4910000000-1e688c262e19332f277e
Wiley ID 1464513