6-tert-butyl-2-[({[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

SpectraBase Compound ID	FvD4ImKsnYP
InChI	InChI=1S/C21H27N5O2S2/c1-21(2,3)13-6-7-14-15(9-13)30-19(17(14)18(22)28)25-20(29)24-16(27)8-5-12-10-23-26(4)11-12/h5,8,10-11,13H,6-7,9H2,1-4H3,(H2,22,28)(H2,24,25,27,29)/b8-5+
InChIKey	ZLQFSWJVXRVEBA-VMPITWQZSA-N Google Search
Mol Weight	445.6 g/mol
Molecular Formula	C21H27N5O2S2
Exact Mass	445.160617 g/mol

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SpectraBase Spectrum ID	36Xo93r1xn7
Name	6-tert-butyl-2-[({[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C21H27N5O2S2/c1-21(2,3)13-6-7-14-15(9-13)30-19(17(14)18(22)28)25-20(29)24-16(27)8-5-12-10-23-26(4)11-12/h5,8,10-11,13H,6-7,9H2,1-4H3,(H2,22,28)(H2,24,25,27,29)/b8-5+
InChIKey	ZLQFSWJVXRVEBA-VMPITWQZSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_31774
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: 1843336; SBI_ID: SBI-031778
Synonyms	6-tert-butyl-2-[({[3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature	315 °C