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2-(4-(3-(4-(N-acetylsulfamoyl)phenyl)thioureido)benzamido)acetic acid
SpectraBase Compound ID LTYPFBY5tNl
InChI InChI=1S/C18H18N4O6S2/c1-11(23)22-30(27,28)15-8-6-14(7-9-15)21-18(29)20-13-4-2-12(3-5-13)17(26)19-10-16(24)25/h2-9H,10H2,1H3,(H,19,26)(H,22,23)(H,24,25)(H2,20,21,29)
InChIKey CPHNSONYBJHIBI-UHFFFAOYSA-N
Mol Weight 450.48 g/mol
Molecular Formula C18H18N4O6S2
Exact Mass 450.066777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RXqzozJefl
Name 2-(4-(3-(4-(N-acetylsulfamoyl)phenyl)thioureido)benzamido)acetic acid
Alternate Name(s) 2-[[[4-[[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]acetic acid 2-[[4-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]benzoyl]amino]acetic acid 2-[[4-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]phenyl]carbonylamino]ethanoic acid
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Formula C18H18N4O6S2
InChI InChI=1S/C18H18N4O6S2/c1-11(23)22-30(27,28)15-8-6-14(7-9-15)21-18(29)20-13-4-2-12(3-5-13)17(26)19-10-16(24)25/h2-9H,10H2,1H3,(H,19,26)(H,22,23)(H,24,25)(H2,20,21,29)
InChIKey CPHNSONYBJHIBI-UHFFFAOYSA-N
Molecular Weight 450.484 g/mol
SMILES N(S(c1ccc(NC(Nc2ccc(C(NCC(=O)O)=O)cc2)=S)cc1)(=O)=O)C(=O)C
SPLASH splash10-056r-4383900000-b7dff2d6d53f2bd50406
Source of Spectrum EMC-64-118-7b
Wiley ID 1735541