1-piperazinecarbothioamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-

SpectraBase Compound ID	IQpiyF9EgcL
InChI	InChI=1S/C18H22ClF3N4OS/c19-14-4-3-13(18(20,21)22)11-15(14)23-17(28)26-9-7-24(8-10-26)12-16(27)25-5-1-2-6-25/h3-4,11H,1-2,5-10,12H2,(H,23,28)
InChIKey	XGVOCJIFHFPAOB-UHFFFAOYSA-N Google Search
Mol Weight	434.91 g/mol
Molecular Formula	C18H22ClF3N4OS
Exact Mass	434.115495 g/mol

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SpectraBase Spectrum ID	FEGAC2nf712
Name	1-piperazinecarbothioamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-
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/C18H22ClF3N4OS/c19-14-4-3-13(18(20,21)22)11-15(14)23-17(28)26-9-7-24(8-10-26)12-16(27)25-5-1-2-6-25/h3-4,11H,1-2,5-10,12H2,(H,23,28)
InChIKey	XGVOCJIFHFPAOB-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8192
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: F31754; Labnumber: NNA-V-18270