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4-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoic acid
SpectraBase Compound ID LNIDHQhTFCR
InChI InChI=1S/C28H25N3O4S/c1-17(2)16-35-21-7-5-6-19(14-21)25-15-23(22-8-3-4-9-24(22)30-25)26(32)31-28(36)29-20-12-10-18(11-13-20)27(33)34/h3-15,17H,16H2,1-2H3,(H,33,34)(H2,29,31,32,36)
InChIKey WRLLFFXPRBBLEJ-UHFFFAOYSA-N
Mol Weight 499.59 g/mol
Molecular Formula C28H25N3O4S
Exact Mass 499.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9geOJYOoTNd
Name 4-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoic acid
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/C28H25N3O4S/c1-17(2)16-35-21-7-5-6-19(14-21)25-15-23(22-8-3-4-9-24(22)30-25)26(32)31-28(36)29-20-12-10-18(11-13-20)27(33)34/h3-15,17H,16H2,1-2H3,(H,33,34)(H2,29,31,32,36)
InChIKey WRLLFFXPRBBLEJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10824
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: 1003293; UBI_ID: UBI-010827
Temperature 308 °C