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methyl 4-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
SpectraBase Compound ID LdRZy6amMSf
InChI InChI=1S/C28H25N3O4S/c1-17(2)35-21-8-6-7-19(15-21)25-16-23(22-9-4-5-10-24(22)30-25)26(32)31-28(36)29-20-13-11-18(12-14-20)27(33)34-3/h4-17H,1-3H3,(H2,29,31,32,36)
InChIKey OCYPBFLIIZVXKP-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 CBYlUYOQyjc
Name methyl 4-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
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)35-21-8-6-7-19(15-21)25-16-23(22-9-4-5-10-24(22)30-25)26(32)31-28(36)29-20-13-11-18(12-14-20)27(33)34-3/h4-17H,1-3H3,(H2,29,31,32,36)
InChIKey OCYPBFLIIZVXKP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7355
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: 9686671; UBI_ID: UBI-007358
Temperature 308 °C