acetamide, 2-[4-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonothioyl]-2-methoxyphenoxy]-

SpectraBase Compound ID	4zDRhm8a5HG
InChI	InChI=1S/C21H22N4O3S2/c1-27-17-12-14(6-7-16(17)28-13-19(22)26)21(29)25-10-8-24(9-11-25)20-15-4-2-3-5-18(15)30-23-20/h2-7,12H,8-11,13H2,1H3,(H2,22,26)
InChIKey	JKBQIPOURCXQBC-UHFFFAOYSA-N Google Search
Mol Weight	442.55 g/mol
Molecular Formula	C21H22N4O3S2
Exact Mass	442.113333 g/mol

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SpectraBase Spectrum ID	D4RoAGfJCrM
Name	acetamide, 2-[4-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonothioyl]-2-methoxyphenoxy]-
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/C21H22N4O3S2/c1-27-17-12-14(6-7-16(17)28-13-19(22)26)21(29)25-10-8-24(9-11-25)20-15-4-2-3-5-18(15)30-23-20/h2-7,12H,8-11,13H2,1H3,(H2,22,26)
InChIKey	JKBQIPOURCXQBC-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8119
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: F31553; Labnumber: SPYEL-6850