2-thiophenecarboxylic acid, 3-[[[(2-phenylethyl)(phenylmethyl)amino]carbonothioyl]amino]-, methyl ester

SpectraBase Compound ID	Il1nWLHLYaL
InChI	InChI=1S/C22H22N2O2S2/c1-26-21(25)20-19(13-15-28-20)23-22(27)24(16-18-10-6-3-7-11-18)14-12-17-8-4-2-5-9-17/h2-11,13,15H,12,14,16H2,1H3,(H,23,27)
InChIKey	LGMDHHIBXNIMKS-UHFFFAOYSA-N Google Search
Mol Weight	410.55 g/mol
Molecular Formula	C22H22N2O2S2
Exact Mass	410.11227 g/mol

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SpectraBase Spectrum ID	F1LbQv2s1WA
Name	2-thiophenecarboxylic acid, 3-[[[(2-phenylethyl)(phenylmethyl)amino]carbonothioyl]amino]-, methyl 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	410.112270302 u
Formula	C22H22N2O2S2
InChI	InChI=1S/C22H22N2O2S2/c1-26-21(25)20-19(13-15-28-20)23-22(27)24(16-18-10-6-3-7-11-18)14-12-17-8-4-2-5-9-17/h2-11,13,15H,12,14,16H2,1H3,(H,23,27)
InChIKey	LGMDHHIBXNIMKS-UHFFFAOYSA-N
Molecular Weight	410.550 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2021_1039
Solvent	DMSO-d6
Source	Vendor ID: NMR/13239624