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N-Ethyl-2-{[(4-nitrobenzoyl)carbamothioyl]amino}benzamide
SpectraBase Compound ID EPYlirgYtYe
InChI InChI=1S/C17H16N4O4S/c1-2-18-16(23)13-5-3-4-6-14(13)19-17(26)20-15(22)11-7-9-12(10-8-11)21(24)25/h3-10H,2H2,1H3,(H,18,23)(H2,19,20,22,26)
InChIKey XDSYAMJIOGXLRU-UHFFFAOYSA-N
Mol Weight 372.4 g/mol
Molecular Formula C17H16N4O4S
Exact Mass 372.089226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72updvJ0a92
Name N-Ethyl-2-{[(4-nitrobenzoyl)carbamothioyl]amino}benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N4O4S
InChI InChI=1S/C17H16N4O4S/c1-2-18-16(23)13-5-3-4-6-14(13)19-17(26)20-15(22)11-7-9-12(10-8-11)21(24)25/h3-10H,2H2,1H3,(H,18,23)(H2,19,20,22,26)
InChIKey XDSYAMJIOGXLRU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100071
Molecular Weight 372.399 g/mol
SMILES N(C(NC(c1ccc(cc1)[N+](=O)[O-])=O)=S)c1c(C(=O)NCC)cccc1
SPLASH splash10-0udi-1900000000-05dfb566e2ebf54ee75b
Source of Spectrum H-94-1829-10
Synonyms N-ethyl-2-(3-(4-nitrobenzoyl)thioureido)benzamide
Wiley ID 1785897