N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-[(2E)-3-(2-furyl)-2-propenoyl]thiourea

SpectraBase Compound ID	3866VgqCEst
InChI	InChI=1S/C22H25ClN4O3S/c1-15(2)21(29)27-11-9-26(10-12-27)19-7-5-16(14-18(19)23)24-22(31)25-20(28)8-6-17-4-3-13-30-17/h3-8,13-15H,9-12H2,1-2H3,(H2,24,25,28,31)/b8-6+
InChIKey	CTMNEDFDMDFVBB-SOFGYWHQSA-N Google Search
Mol Weight	460.98 g/mol
Molecular Formula	C22H25ClN4O3S
Exact Mass	460.13359 g/mol

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SpectraBase Spectrum ID	IGpVEv5MvRR
Name	N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-[(2E)-3-(2-furyl)-2-propenoyl]thiourea
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/C22H25ClN4O3S/c1-15(2)21(29)27-11-9-26(10-12-27)19-7-5-16(14-18(19)23)24-22(31)25-20(28)8-6-17-4-3-13-30-17/h3-8,13-15H,9-12H2,1-2H3,(H2,24,25,28,31)/b8-6+
InChIKey	CTMNEDFDMDFVBB-SOFGYWHQSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_30100
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: 1665225; SBI_ID: SBI-030104
Synonyms	N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-[3-(2-furyl)-2-propenoyl]thiourea
Temperature	318 °C