N-(2-chlorobenzoyl)-N'-[4-(4-isobutyryl-1-piperazinyl)phenyl]thiourea

SpectraBase Compound ID	2sts2alI3o2
InChI	InChI=1S/C22H25ClN4O2S/c1-15(2)21(29)27-13-11-26(12-14-27)17-9-7-16(8-10-17)24-22(30)25-20(28)18-5-3-4-6-19(18)23/h3-10,15H,11-14H2,1-2H3,(H2,24,25,28,30)
InChIKey	JTDPHKWVSCOHKX-UHFFFAOYSA-N Google Search
Mol Weight	444.98 g/mol
Molecular Formula	C22H25ClN4O2S
Exact Mass	444.138675 g/mol

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SpectraBase Spectrum ID	Dd4TNb361PL
Name	N-(2-chlorobenzoyl)-N'-[4-(4-isobutyryl-1-piperazinyl)phenyl]thiourea
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H25ClN4O2S/c1-15(2)21(29)27-13-11-26(12-14-27)17-9-7-16(8-10-17)24-22(30)25-20(28)18-5-3-4-6-19(18)23/h3-10,15H,11-14H2,1-2H3,(H2,24,25,28,30)
InChIKey	JTDPHKWVSCOHKX-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_5003
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: E12741; Labnumber: SPMOS1-46691; SBI_ID: SBI-005005
Temperature	308 °C