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N-(4,6-dimethyl-2-pyrimidinyl)-4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzenesulfonamide
SpectraBase Compound ID LKCbkE7xM6K
InChI InChI=1S/C29H24N6O3S2/c1-18-16-19(2)31-28(30-18)35-40(37,38)22-14-12-21(13-15-22)32-29(39)34-27(36)24-17-26(20-8-4-3-5-9-20)33-25-11-7-6-10-23(24)25/h3-17H,1-2H3,(H,30,31,35)(H2,32,34,36,39)
InChIKey AVVUZJICYCSPRV-UHFFFAOYSA-N
Mol Weight 568.67 g/mol
Molecular Formula C29H24N6O3S2
Exact Mass 568.135131 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gq1A2WTaTtk
Name N-(4,6-dimethyl-2-pyrimidinyl)-4-[({[(2-phenyl-4-quinolinyl)carbonyl]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/C29H24N6O3S2/c1-18-16-19(2)31-28(30-18)35-40(37,38)22-14-12-21(13-15-22)32-29(39)34-27(36)24-17-26(20-8-4-3-5-9-20)33-25-11-7-6-10-23(24)25/h3-17H,1-2H3,(H,30,31,35)(H2,32,34,36,39)
InChIKey AVVUZJICYCSPRV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3717
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/1008096; UBI_ID: UBI-003718
Temperature 318 °C