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4-[({[(2E)-3-(4-methoxyphenyl)-2-propenoyl]amino}carbothioyl)amino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
SpectraBase Compound ID 6NZI1SuoFhM
InChI InChI=1S/C21H20N4O5S2/c1-14-13-19(24-30-14)25-32(27,28)18-10-6-16(7-11-18)22-21(31)23-20(26)12-5-15-3-8-17(29-2)9-4-15/h3-13H,1-2H3,(H,24,25)(H2,22,23,26,31)/b12-5+
InChIKey JLXZRKZTIZHLLO-LFYBBSHMSA-N
Mol Weight 472.53 g/mol
Molecular Formula C21H20N4O5S2
Exact Mass 472.087512 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4JjOPIzgpca
Name 4-[({[(2E)-3-(4-methoxyphenyl)-2-propenoyl]amino}carbothioyl)amino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
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/C21H20N4O5S2/c1-14-13-19(24-30-14)25-32(27,28)18-10-6-16(7-11-18)22-21(31)23-20(26)12-5-15-3-8-17(29-2)9-4-15/h3-13H,1-2H3,(H,24,25)(H2,22,23,26,31)/b12-5+
InChIKey JLXZRKZTIZHLLO-LFYBBSHMSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7412
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: D29731; Labnumber: NNOBK-0531; SBI_ID: SBI-007415
Synonyms 4-[({[3-(4-methoxyphenyl)-2-propenoyl]amino}carbothioyl)amino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
Temperature 315 °C