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4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
SpectraBase Compound ID 1XjZNkfP7vr
InChI InChI=1S/C26H18ClN5O3S3/c27-17-7-5-16(6-8-17)23-15-21(20-3-1-2-4-22(20)30-23)24(33)31-25(36)29-18-9-11-19(12-10-18)38(34,35)32-26-28-13-14-37-26/h1-15H,(H,28,32)(H2,29,31,33,36)
InChIKey AFNCCWQHSKYKGG-UHFFFAOYSA-N
Mol Weight 580.1 g/mol
Molecular Formula C26H18ClN5O3S3
Exact Mass 579.026031 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2GsZaD6QBTJ
Name 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-N-(1,3-thiazol-2-yl)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/C26H18ClN5O3S3/c27-17-7-5-16(6-8-17)23-15-21(20-3-1-2-4-22(20)30-23)24(33)31-25(36)29-18-9-11-19(12-10-18)38(34,35)32-26-28-13-14-37-26/h1-15H,(H,28,32)(H2,29,31,33,36)
InChIKey AFNCCWQHSKYKGG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9021
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: 1000175; UBI_ID: UBI-009024
Temperature 313 °C