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N-benzyl-2-({(4E)-1-isobutyl-4-[(5-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
SpectraBase Compound ID 7jsQAYymDHt
InChI InChI=1S/C22H25N3O2S2/c1-15(2)13-25-21(27)19(11-18-10-9-16(3)29-18)24-22(25)28-14-20(26)23-12-17-7-5-4-6-8-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)/b19-11+
InChIKey JOASYOCDNPQGAY-YBFXNURJSA-N
Mol Weight 427.58 g/mol
Molecular Formula C22H25N3O2S2
Exact Mass 427.138819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEqWXXV8QAF
Name N-Benzyl-2-({(4E)-1-isobutyl-4-[(5-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.138819403 u
Formula C22H25N3O2S2
InChI InChI=1S/C22H25N3O2S2/c1-15(2)13-25-21(27)19(11-18-10-9-16(3)29-18)24-22(25)28-14-20(26)23-12-17-7-5-4-6-8-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)/b19-11+
InChIKey JOASYOCDNPQGAY-YBFXNURJSA-N
Molecular Weight 427.581 g/mol
SMILES N(C(CSC=1N(C(\C(=C/C=2SC(C)=CC2)N1)=O)CC(C)C)=O)CC1=CC=CC=C1