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2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide

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2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SpectraBase Compound ID 6ft9TNwkr4T
InChI InChI=1S/C26H25N3O2S2/c30-22(27-16-15-18-9-3-1-4-10-18)17-32-26-28-24-23(20-13-7-8-14-21(20)33-24)25(31)29(26)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,27,30)
InChIKey JVIGVQHPYOQWID-UHFFFAOYSA-N
Mol Weight 475.63 g/mol
Molecular Formula C26H25N3O2S2
Exact Mass 475.138819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FklmHIkBIZy
Name 2-[(4-oxo-3-Phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.138819403 u
Formula C26H25N3O2S2
InChI InChI=1S/C26H25N3O2S2/c30-22(27-16-15-18-9-3-1-4-10-18)17-32-26-28-24-23(20-13-7-8-14-21(20)33-24)25(31)29(26)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,27,30)
InChIKey JVIGVQHPYOQWID-UHFFFAOYSA-N
Molecular Weight 475.625 g/mol
SMILES N(C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC=CC1)=O)CCC=1C=CC=CC1