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

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2-[({[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID JAYwHJwlgOh
InChI InChI=1S/C16H18BrN5O2S2/c1-7-3-4-8-10(5-7)26-15(11(8)13(18)23)20-16(25)19-14(24)12-9(17)6-22(2)21-12/h6-7H,3-5H2,1-2H3,(H2,18,23)(H2,19,20,24,25)
InChIKey XDVXDUVBTFBVLJ-UHFFFAOYSA-N
Mol Weight 456.38 g/mol
Molecular Formula C16H18BrN5O2S2
Exact Mass 455.00853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CoqhhhtIf0H
Name 2-[({[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-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/C16H18BrN5O2S2/c1-7-3-4-8-10(5-7)26-15(11(8)13(18)23)20-16(25)19-14(24)12-9(17)6-22(2)21-12/h6-7H,3-5H2,1-2H3,(H2,18,23)(H2,19,20,24,25)
InChIKey XDVXDUVBTFBVLJ-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_16714
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/8172665; UBI_ID: UBI-016717
Temperature 300 °C