2-[(2-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

SpectraBase Compound ID	GW7UwlGBHmG
InChI	InChI=1S/C18H18ClN3O2S2/c1-9-6-7-11-13(8-9)26-17(14(11)15(20)23)22-18(25)21-16(24)10-4-2-3-5-12(10)19/h2-5,9H,6-8H2,1H3,(H2,20,23)(H2,21,22,24,25)
InChIKey	BKOBWMSAYXLJJL-UHFFFAOYSA-N Google Search
Mol Weight	407.93 g/mol
Molecular Formula	C18H18ClN3O2S2
Exact Mass	407.052897 g/mol

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SpectraBase Spectrum ID	FuCK2gMrk4G
Name	benzo[b]thiophene-3-carboxamide, 2-[[[(2-chlorobenzoyl)amino]carbonothioyl]amino]-4,5,6,7-tetrahydro-6-methyl-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	407.052896878 u
Formula	C18H18ClN3O2S2
InChI	InChI=1S/C18H18ClN3O2S2/c1-9-6-7-11-13(8-9)26-17(14(11)15(20)23)22-18(25)21-16(24)10-4-2-3-5-12(10)19/h2-5,9H,6-8H2,1H3,(H2,20,23)(H2,21,22,24,25)
InChIKey	BKOBWMSAYXLJJL-UHFFFAOYSA-N
Molecular Weight	407.934 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_11714
Solvent	DMSO-d6
Source	Vendor ID: NMR/10271364; Lab Info: OBK; Lab Number: OBK-0003636