(5E)-1-acetyl-5-[(6-methoxy-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

SpectraBase Compound ID	7SxP7G6OKqJ
InChI	InChI=1S/C21H22N4O3S/c1-13(26)25-18(20(27)23-21(25)29)12-15-10-14-11-16(28-2)6-7-17(14)22-19(15)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,27,29)/b18-12+
InChIKey	YSUSOZARZSVROM-LDADJPATSA-N Google Search
Mol Weight	410.49 g/mol
Molecular Formula	C21H22N4O3S
Exact Mass	410.141262 g/mol

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SpectraBase Spectrum ID	CkfBLYxGtss
Name	4-imidazolidinone, 1-acetyl-5-[[6-methoxy-2-(1-piperidinyl)-3-quinolinyl]methylene]-2-thioxo-, (5E)-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	410.141261755 u
Formula	C21H22N4O3S
InChI	InChI=1S/C21H22N4O3S/c1-13(26)25-18(20(27)23-21(25)29)12-15-10-14-11-16(28-2)6-7-17(14)22-19(15)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,27,29)/b18-12+
InChIKey	YSUSOZARZSVROM-LDADJPATSA-N
Molecular Weight	410.492 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15343
Solvent	DMSO-d6
Source	Vendor ID: NMR/11211857; Lab Info: LP; Lab Number: LP-3800104