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-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
SpectraBase Compound ID 9hcMG2D1woq
InChI InChI=1S/C22H18ClN5O3S3/c1-12-11-13(2)25-21(24-12)28-34(30,31)15-9-7-14(8-10-15)26-22(32)27-20(29)19-18(23)16-5-3-4-6-17(16)33-19/h3-11H,1-2H3,(H,24,25,28)(H2,26,27,29,32)
InChIKey HLQOLZHEKXTDFE-UHFFFAOYSA-N
Mol Weight 532.05 g/mol
Molecular Formula C22H18ClN5O3S3
Exact Mass 531.026031 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 788pn23Z8X0
Name 4-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbothioyl)amino]-N-(4,6-dimethyl-2-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/C22H18ClN5O3S3/c1-12-11-13(2)25-21(24-12)28-34(30,31)15-9-7-14(8-10-15)26-22(32)27-20(29)19-18(23)16-5-3-4-6-17(16)33-19/h3-11H,1-2H3,(H,24,25,28)(H2,26,27,29,32)
InChIKey HLQOLZHEKXTDFE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7416
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: D29735; Labnumber: NNOBK-0661; SBI_ID: SBI-007419
Temperature 315 °C