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2-(4-(3-(4-sulfamoylphenyl)thioureido)benzamido)acetic acid
SpectraBase Compound ID Dx4OrChVkff
InChI InChI=1S/C16H16N4O5S2/c17-27(24,25)13-7-5-12(6-8-13)20-16(26)19-11-3-1-10(2-4-11)15(23)18-9-14(21)22/h1-8H,9H2,(H,18,23)(H,21,22)(H2,17,24,25)(H2,19,20,26)
InChIKey GDPQNYNXPGVXPV-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C16H16N4O5S2
Exact Mass 408.056212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ezoz8rN3xFy
Name 2-(4-(3-(4-sulfamoylphenyl)thioureido)benzamido)acetic acid
Alternate Name(s) 2-[[oxo-[4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]phenyl]methyl]amino]acetic acid 2-[[4-[(4-sulfamoylphenyl)carbamothioylamino]benzoyl]amino]acetic acid 2-[[4-[(4-sulfamoylphenyl)carbamothioylamino]phenyl]carbonylamino]ethanoic acid
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Formula C16H16N4O5S2
InChI InChI=1S/C16H16N4O5S2/c17-27(24,25)13-7-5-12(6-8-13)20-16(26)19-11-3-1-10(2-4-11)15(23)18-9-14(21)22/h1-8H,9H2,(H,18,23)(H,21,22)(H2,17,24,25)(H2,19,20,26)
InChIKey GDPQNYNXPGVXPV-UHFFFAOYSA-N
Molecular Weight 408.447 g/mol
SMILES N(C(Nc1ccc(C(NCC(=O)O)=O)cc1)=S)c1ccc(S(=O)(=O)N)cc1
SPLASH splash10-000i-9040200000-1631d6fb9267b2057719
Source of Spectrum EMC-64-118-7a
Wiley ID 1735542