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

View entire compound with spectra: 2 NMR

N-(3-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 8UzHvzkvi7V
InChI InChI=1S/C24H19BrClN3O2S2/c25-14-4-3-5-16(12-14)27-20(30)13-32-24-28-22-21(18-6-1-2-7-19(18)33-22)23(31)29(24)17-10-8-15(26)9-11-17/h3-5,8-12H,1-2,6-7,13H2,(H,27,30)
InChIKey SRPYMVMDOIJOAB-UHFFFAOYSA-N
Mol Weight 560.91 g/mol
Molecular Formula C24H19BrClN3O2S2
Exact Mass 558.97906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChvcG9UHnlI
Name N-(3-Bromophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.979059910 u
Formula C24H19BrClN3O2S2
InChI InChI=1S/C24H19BrClN3O2S2/c25-14-4-3-5-16(12-14)27-20(30)13-32-24-28-22-21(18-6-1-2-7-19(18)33-22)23(31)29(24)17-10-8-15(26)9-11-17/h3-5,8-12H,1-2,6-7,13H2,(H,27,30)
InChIKey SRPYMVMDOIJOAB-UHFFFAOYSA-N
Molecular Weight 560.912 g/mol
SMILES N(C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)Cl)=O)C=1C=C(Br)C=CC1