2-[(2-bromobenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester

SpectraBase Compound ID	E8hDACK56Ap
InChI	InChI=1S/C17H17BrN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-7-5-6-8-12(11)18/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey	NGVSXSZOGZLJCI-UHFFFAOYSA-N Google Search
Mol Weight	441.36 g/mol
Molecular Formula	C17H17BrN2O3S2
Exact Mass	439.986398 g/mol

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SpectraBase Spectrum ID	BwTbsBtYvtJ
Name	3-thiophenecarboxylic acid, 2-[[[(2-bromobenzoyl)amino]carbonothioyl]amino]-4,5-dimethyl-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	439.986397760 u
Formula	C17H17BrN2O3S2
InChI	InChI=1S/C17H17BrN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-7-5-6-8-12(11)18/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey	NGVSXSZOGZLJCI-UHFFFAOYSA-N
Molecular Weight	441.358 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14416
Solvent	DMSO-d6
Source	Vendor ID: NMR/10322899; Lab Info: OBK; Lab Number: OBK-cor3642