benzoic acid, 2-[[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester

SpectraBase Compound ID	ECVP7Oj9gtP
InChI	InChI=1S/C20H20N4O2S2/c1-26-19(25)14-6-2-4-8-16(14)21-20(27)24-12-10-23(11-13-24)18-15-7-3-5-9-17(15)28-22-18/h2-9H,10-13H2,1H3,(H,21,27)
InChIKey	MWBRGQWGGUEYAV-UHFFFAOYSA-N Google Search
Mol Weight	412.53 g/mol
Molecular Formula	C20H20N4O2S2
Exact Mass	412.102768 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	FfoqTqOBiKl
Name	benzoic acid, 2-[[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonothioyl]amino]-, methyl 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/C20H20N4O2S2/c1-26-19(25)14-6-2-4-8-16(14)21-20(27)24-12-10-23(11-13-24)18-15-7-3-5-9-17(15)28-22-18/h2-9H,10-13H2,1H3,(H,21,27)
InChIKey	MWBRGQWGGUEYAV-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9651
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: F36076; Labnumber: NNA-V-24212