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

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ethyl 2-[({[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID KuXVITgfrbM
InChI InChI=1S/C17H19BrN4O3S2/c1-3-25-16(24)12-9-6-4-5-7-11(9)27-15(12)21-17(26)20-14(23)13-10(18)8-19-22(13)2/h8H,3-7H2,1-2H3,(H2,20,21,23,26)
InChIKey FLVOUWDIAPXMDN-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 HxpmBCsxRCA
Name ethyl 2-[({[(4-bromo-1-methyl-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/c1-3-25-16(24)12-9-6-4-5-7-11(9)27-15(12)21-17(26)20-14(23)13-10(18)8-19-22(13)2/h8H,3-7H2,1-2H3,(H2,20,21,23,26)
InChIKey FLVOUWDIAPXMDN-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15317
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: UZI/6211469; UBI_ID: UBI-015320
Temperature 300 °C