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N-(5-methyl-3-isoxazolyl)-4-[({[(2E)-3-phenyl-2-propenoyl]amino}carbothioyl)amino]benzenesulfonamide
SpectraBase Compound ID 4GMENs0PI7n
InChI InChI=1S/C20H18N4O4S2/c1-14-13-18(23-28-14)24-30(26,27)17-10-8-16(9-11-17)21-20(29)22-19(25)12-7-15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24)(H2,21,22,25,29)/b12-7+
InChIKey ARWFLPHYCVVXEC-KPKJPENVSA-N
Mol Weight 442.51 g/mol
Molecular Formula C20H18N4O4S2
Exact Mass 442.076947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 82Btcm5jqV0
Name N-(5-methyl-3-isoxazolyl)-4-[({[(2E)-3-phenyl-2-propenoyl]amino}carbothioyl)amino]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/C20H18N4O4S2/c1-14-13-18(23-28-14)24-30(26,27)17-10-8-16(9-11-17)21-20(29)22-19(25)12-7-15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24)(H2,21,22,25,29)/b12-7+
InChIKey ARWFLPHYCVVXEC-KPKJPENVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7411
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: D29730; Labnumber: NNOBK-0529; SBI_ID: SBI-007414
Synonyms N-(5-methyl-3-isoxazolyl)-4-[({[3-phenyl-2-propenoyl]amino}carbothioyl)amino]benzenesulfonamide
Temperature 315 °C