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N-(4-bromophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

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N-(4-bromophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID LWn0nCUuSHA
InChI InChI=1S/C24H19BrClN3O2S2/c25-14-5-9-16(10-6-14)27-20(30)13-32-24-28-22-21(18-3-1-2-4-19(18)33-22)23(31)29(24)17-11-7-15(26)8-12-17/h5-12H,1-4,13H2,(H,27,30)
InChIKey NKGPEADNVWKKRV-UHFFFAOYSA-N
Mol Weight 560.91 g/mol
Molecular Formula C24H19BrClN3O2S2
Exact Mass 558.97906 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JS9PloylYqf
Name N-(4-bromophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
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/C24H19BrClN3O2S2/c25-14-5-9-16(10-6-14)27-20(30)13-32-24-28-22-21(18-3-1-2-4-19(18)33-22)23(31)29(24)17-11-7-15(26)8-12-17/h5-12H,1-4,13H2,(H,27,30)
InChIKey NKGPEADNVWKKRV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17386
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: D25564; Labnumber: GRES-04647; SBI_ID: SBI-017389
Temperature 308 °C