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4-[[2-(3-benzamido-1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID Li1W4dJsOIP
InChI InChI=1S/C22H22N4O5S/c1-3-31-21(30)15-9-11-16(12-10-15)23-18(27)13-17-20(29)25(2)22(32)26(17)24-19(28)14-7-5-4-6-8-14/h4-12,17H,3,13H2,1-2H3,(H,23,27)(H,24,28)
InChIKey RJEUBTKQBNJUMD-UHFFFAOYSA-N
Mol Weight 454.5 g/mol
Molecular Formula C22H22N4O5S
Exact Mass 454.131091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8p9ORzect9M
Name 4-[[2-(3-benzamido-1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester
Alternate Name(s) 4-[[2-(3-benzamido-5-keto-1-methyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Ethyl 4-[2-(3-benzamido-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate Ethyl 4-[[2-(3-benzamido-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Ethyl 4-[[2-(3-benzamido-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate
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Formula C22H22N4O5S
InChI InChI=1S/C22H22N4O5S/c1-3-31-21(30)15-9-11-16(12-10-15)23-18(27)13-17-20(29)25(2)22(32)26(17)24-19(28)14-7-5-4-6-8-14/h4-12,17H,3,13H2,1-2H3,(H,23,27)(H,24,28)
InChIKey RJEUBTKQBNJUMD-UHFFFAOYSA-N
Molecular Weight 454.501 g/mol
SMILES N(N1C(CC(Nc2ccc(C(=O)OCC)cc2)=O)C(N(C1=S)C)=O)C(=O)c1ccccc1
SPLASH splash10-0a4i-6900000000-3ca1bc3d630265fdac59
Wiley ID 1443607