For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbothioyl)amino]-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
SpectraBase Compound ID A7Urfgqbv8N
InChI InChI=1S/C22H18ClN5O5S3/c1-32-17-11-16(25-21(26-17)33-2)28-36(30,31)13-9-7-12(8-10-13)24-22(34)27-20(29)19-18(23)14-5-3-4-6-15(14)35-19/h3-11H,1-2H3,(H,25,26,28)(H2,24,27,29,34)
InChIKey MWLPNRDFKQUNBR-UHFFFAOYSA-N
Mol Weight 564.05 g/mol
Molecular Formula C22H18ClN5O5S3
Exact Mass 563.01586 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ek9Gk1TdA9I
Name 4-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbothioyl)amino]-N-(2,6-dimethoxy-4-pyrimidinyl)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/C22H18ClN5O5S3/c1-32-17-11-16(25-21(26-17)33-2)28-36(30,31)13-9-7-12(8-10-13)24-22(34)27-20(29)19-18(23)14-5-3-4-6-15(14)35-19/h3-11H,1-2H3,(H,25,26,28)(H2,24,27,29,34)
InChIKey MWLPNRDFKQUNBR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7417
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: D29736; Labnumber: NNOBK-0663; SBI_ID: SBI-007420
Temperature 315 °C