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ethyl 2-{[(isonicotinoylamino)carbothioyl]amino}-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
SpectraBase Compound ID IsDEmiDCrlL
InChI InChI=1S/C23H22N4O4S2/c1-4-31-22(30)17-14(3)18(20(29)25-16-8-6-5-7-13(16)2)33-21(17)27-23(32)26-19(28)15-9-11-24-12-10-15/h5-12H,4H2,1-3H3,(H,25,29)(H2,26,27,28,32)
InChIKey OZFQCQBJBQJEAX-UHFFFAOYSA-N
Mol Weight 482.57 g/mol
Molecular Formula C23H22N4O4S2
Exact Mass 482.108248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L2i4fsxDYp4
Name ethyl 2-{[(isonicotinoylamino)carbothioyl]amino}-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
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/C23H22N4O4S2/c1-4-31-22(30)17-14(3)18(20(29)25-16-8-6-5-7-13(16)2)33-21(17)27-23(32)26-19(28)15-9-11-24-12-10-15/h5-12H,4H2,1-3H3,(H,25,29)(H2,26,27,28,32)
InChIKey OZFQCQBJBQJEAX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13435
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/9131550; UBI_ID: UBI-013438
Temperature 308 °C