Benzoic acid, 4-[[[[(5-bromo-3-pyridinyl)carbonyl]amino]carbonothioyl]amino]-, 1-methylethyl ester

SpectraBase Compound ID	Ii3M8ptaJfN
InChI	InChI=1S/C17H16BrN3O3S/c1-10(2)24-16(23)11-3-5-14(6-4-11)20-17(25)21-15(22)12-7-13(18)9-19-8-12/h3-10H,1-2H3,(H2,20,21,22,25)
InChIKey	HWIHVLRRZGTMMI-UHFFFAOYSA-N Google Search
Mol Weight	422.3 g/mol
Molecular Formula	C17H16BrN3O3S
Exact Mass	421.009576 g/mol

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SpectraBase Spectrum ID	hJquX4TCIH
Name	Benzoic acid, 4-[[[[(5-bromo-3-pyridinyl)carbonyl]amino]carbonothioyl]amino]-, 1-methylethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	421.009575558 u
Formula	C17H16BrN3O3S
InChI	InChI=1S/C17H16BrN3O3S/c1-10(2)24-16(23)11-3-5-14(6-4-11)20-17(25)21-15(22)12-7-13(18)9-19-8-12/h3-10H,1-2H3,(H2,20,21,22,25)
InChIKey	HWIHVLRRZGTMMI-UHFFFAOYSA-N
Molecular Weight	422.297 g/mol
SMILES	N(C(NC(C=1C=C(Br)C=NC1)=O)=S)C=1C=CC(C(OC(C)C)=O)=CC1