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

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2-[({[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID LZFl7vBB3yk
InChI InChI=1S/C16H18IN5O2S2/c1-7-3-4-8-10(5-7)26-15(11(8)13(18)23)21-16(25)20-14(24)12-9(17)6-19-22(12)2/h6-7H,3-5H2,1-2H3,(H2,18,23)(H2,20,21,24,25)
InChIKey NVLUHBUDSSFHCZ-UHFFFAOYSA-N
Mol Weight 503.38 g/mol
Molecular Formula C16H18IN5O2S2
Exact Mass 502.994662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5SYZVmQsrfC
Name 2-[({[(4-iodo-1-methyl-1H-pyrazol-5-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/C16H18IN5O2S2/c1-7-3-4-8-10(5-7)26-15(11(8)13(18)23)21-16(25)20-14(24)12-9(17)6-19-22(12)2/h6-7H,3-5H2,1-2H3,(H2,18,23)(H2,20,21,24,25)
InChIKey NVLUHBUDSSFHCZ-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_16557
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/8139465; UBI_ID: UBI-016560
Temperature 300 °C