2-(3-PHENYLTHIOUREIDO)-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHENE-3-CARBOXYLIC-ACID-ETHYLESTER

SpectraBase Compound ID	7EqNgCBQAbH
InChI	InChI=1S/C18H20N2O2S2/c1-2-22-17(21)15-13-10-6-7-11-14(13)24-16(15)20-18(23)19-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,19,20,23)
InChIKey	LLGKQAVFOOLYNJ-UHFFFAOYSA-N Google Search
Mol Weight	360.49 g/mol
Molecular Formula	C18H20N2O2S2
Exact Mass	360.09662 g/mol

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SpectraBase Spectrum ID	1dIeLP7G0vS
Name	benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(phenylamino)carbonothioyl]amino]-, ethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C18H20N2O2S2/c1-2-22-17(21)15-13-10-6-7-11-14(13)24-16(15)20-18(23)19-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,19,20,23)
InChIKey	LLGKQAVFOOLYNJ-UHFFFAOYSA-N
NMR Offset	16.1752
NMR Spectrometer Frequency	200.133
Observed nucleus	1H
Origin	1H_CB_8313_2482
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/9253993; Labnumber: DEC-S002001
Temperature	313 °C