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2-(4-(2-(phenylsulfonyl)hydrazinecarbothioamido)benzamido)acetic acid
SpectraBase Compound ID KSU6pY6kthb
InChI InChI=1S/C16H16N4O5S2/c21-14(22)10-17-15(23)11-6-8-12(9-7-11)18-16(26)19-20-27(24,25)13-4-2-1-3-5-13/h1-9,20H,10H2,(H,17,23)(H,21,22)(H2,18,19,26)
InChIKey LTUZIZLZTRSNRI-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 6fGR39CblRg
Name 2-(4-(2-(phenylsulfonyl)hydrazinecarbothioamido)benzamido)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4O5S2
InChI InChI=1S/C16H16N4O5S2/c21-14(22)10-17-15(23)11-6-8-12(9-7-11)18-16(26)19-20-27(24,25)13-4-2-1-3-5-13/h1-9,20H,10H2,(H,17,23)(H,21,22)(H2,18,19,26)
InChIKey LTUZIZLZTRSNRI-UHFFFAOYSA-N
Molecular Weight 408.447 g/mol
SMILES N(S(=O)(=O)c1ccccc1)NC(Nc1ccc(C(NCC(=O)O)=O)cc1)=S
SPLASH splash10-0a4i-3970200000-477bc062ac8b7039a36e
Source of Spectrum EMC-64-119-11d
Synonyms 2-[[[4-[[(benzenesulfonylhydrazo)-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]acetic acid 2-[[4-(benzenesulfonamidocarbamothioylamino)benzoyl]amino]acetic acid 2-[[4-(phenylsulfonylaminocarbamothioylamino)phenyl]carbonylamino]ethanoic acid
Wiley ID 1735536