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N-({2-[(3-Oxobutanoyl)amino]phenyl}carbamothioyl)benzamide
SpectraBase Compound ID 6gW5HF4C9cd
InChI InChI=1S/C18H17N3O3S/c1-12(22)11-16(23)19-14-9-5-6-10-15(14)20-18(25)21-17(24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H2,20,21,24,25)
InChIKey NDXYNHCURDBSCS-UHFFFAOYSA-N
Mol Weight 355.41 g/mol
Molecular Formula C18H17N3O3S
Exact Mass 355.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 429thoc6XQ
Name N-({2-[(3-Oxobutanoyl)amino]phenyl}carbamothioyl)benzamide
Alternate Name(s) N-((2-(3-oxobutanamido)phenyl)carbamothioyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O3S
InChI InChI=1S/C18H17N3O3S/c1-12(22)11-16(23)19-14-9-5-6-10-15(14)20-18(25)21-17(24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H2,20,21,24,25)
InChIKey NDXYNHCURDBSCS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900364
Molecular Weight 355.412 g/mol
SMILES N(C(c1ccccc1)=O)C(Nc1c(cccc1)NC(CC(C)=O)=O)=S
SPLASH splash10-0pdi-6900000000-03ad34855c41b56cdf8e
Source of Spectrum H-93-1225-5a
Wiley ID 1785839