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methyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID L0b9TTrbmJ7
InChI InChI=1S/C17H19BrN4O3S2/c1-8-12(18)13(22(2)21-8)14(23)19-17(26)20-15-11(16(24)25-3)9-6-4-5-7-10(9)27-15/h4-7H2,1-3H3,(H2,19,20,23,26)
InChIKey NOULEESARYHYKY-UHFFFAOYSA-N
Mol Weight 471.39 g/mol
Molecular Formula C17H19BrN4O3S2
Exact Mass 470.008196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Zh2cTfEUlI
Name methyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C17H19BrN4O3S2/c1-8-12(18)13(22(2)21-8)14(23)19-17(26)20-15-11(16(24)25-3)9-6-4-5-7-10(9)27-15/h4-7H2,1-3H3,(H2,19,20,23,26)
InChIKey NOULEESARYHYKY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6954
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: 9686948; UBI_ID: UBI-006956
Temperature 308 °C