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

*Links on SpectraBase are not permalinks.

2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)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-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 8QsdSy8W1Vo
InChI InChI=1S/C25H22BrN3O3S2/c1-32-18-12-8-16(9-13-18)27-21(30)14-33-25-28-23-22(19-4-2-3-5-20(19)34-23)24(31)29(25)17-10-6-15(26)7-11-17/h6-13H,2-5,14H2,1H3,(H,27,30)
InChIKey FDKPKDYZYUCEHY-UHFFFAOYSA-N
Mol Weight 556.49 g/mol
Molecular Formula C25H22BrN3O3S2
Exact Mass 555.028597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID GuPSqEZk82K
Name 2-{[3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.028596925 u
Formula C25H22BrN3O3S2
InChI InChI=1S/C25H22BrN3O3S2/c1-32-18-12-8-16(9-13-18)27-21(30)14-33-25-28-23-22(19-4-2-3-5-20(19)34-23)24(31)29(25)17-10-6-15(26)7-11-17/h6-13H,2-5,14H2,1H3,(H,27,30)
InChIKey FDKPKDYZYUCEHY-UHFFFAOYSA-N
Molecular Weight 556.493 g/mol
SMILES N(C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)Br)=O)C=1C=CC(=CC1)OC