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1-(3-Nitrobenzoyl)-3-(3-aminosulfonylphenyl)thiourea
SpectraBase Compound ID JMaJEu2vXo3
InChI InChI=1S/C14H12N4O5S2/c15-25(22,23)12-6-2-4-10(8-12)16-14(24)17-13(19)9-3-1-5-11(7-9)18(20)21/h1-8H,(H2,15,22,23)(H2,16,17,19,24)
InChIKey IULSTWYXVCZOLW-UHFFFAOYSA-N
Mol Weight 380.39 g/mol
Molecular Formula C14H12N4O5S2
Exact Mass 380.024912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0FDxOsHqdS
Name 1-(3-Nitrobenzoyl)-3-(3-aminosulfonylphenyl)thiourea
Alternate Name(s) 3-Nitro-N-((3-sulfamoylphenyl)carbamothioyl)benzamide 3-Nitro-N-[(3-sulfamoylanilino)-sulfanylidenemethyl]benzamide 3-Nitro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide
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Formula C14H12N4O5S2
InChI InChI=1S/C14H12N4O5S2/c15-25(22,23)12-6-2-4-10(8-12)16-14(24)17-13(19)9-3-1-5-11(7-9)18(20)21/h1-8H,(H2,15,22,23)(H2,16,17,19,24)
InChIKey IULSTWYXVCZOLW-UHFFFAOYSA-N
Molecular Weight 380.393 g/mol
SMILES N(C(NC(c1cc(N(=O)=O)ccc1)=O)=S)c1cc(S(=O)(=O)N)ccc1
SPLASH splash10-01bc-3900000000-a545b1262ab5abd7a801
Source of Spectrum EMC-78-147-3e
Wiley ID 1740185