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

View entire compound with spectra: 2 NMR

2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID I6Uimd2UmaJ
InChI InChI=1S/C27H26BrN3O2S2/c1-16(2)19-7-3-5-9-21(19)29-23(32)15-34-27-30-25-24(20-8-4-6-10-22(20)35-25)26(33)31(27)18-13-11-17(28)12-14-18/h3,5,7,9,11-14,16H,4,6,8,10,15H2,1-2H3,(H,29,32)
InChIKey GRLLABGXTNQDMU-UHFFFAOYSA-N
Mol Weight 568.55 g/mol
Molecular Formula C27H26BrN3O2S2
Exact Mass 567.064982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KoqMJSHvVHl
Name 2-{[3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.064982435 u
Formula C27H26BrN3O2S2
InChI InChI=1S/C27H26BrN3O2S2/c1-16(2)19-7-3-5-9-21(19)29-23(32)15-34-27-30-25-24(20-8-4-6-10-22(20)35-25)26(33)31(27)18-13-11-17(28)12-14-18/h3,5,7,9,11-14,16H,4,6,8,10,15H2,1-2H3,(H,29,32)
InChIKey GRLLABGXTNQDMU-UHFFFAOYSA-N
Molecular Weight 568.548 g/mol
SMILES N(C1=C(C(C)C)C=CC=C1)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)Br)=O