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N-benzyl-4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-phenylbutanamide
SpectraBase Compound ID 3jy9krxM5jV
InChI InChI=1S/C28H26N2O2S2/c1-21-14-16-22(17-15-21)19-25-27(32)29(28(33)34-25)18-8-13-26(31)30(24-11-6-3-7-12-24)20-23-9-4-2-5-10-23/h2-7,9-12,14-17,19H,8,13,18,20H2,1H3/b25-19-
InChIKey GPWFGCPBHPIKSW-PLRJNAJWSA-N
Mol Weight 486.65 g/mol
Molecular Formula C28H26N2O2S2
Exact Mass 486.14357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhUOc3EnCjq
Name N-Benzyl-4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-phenylbutanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.143570431 u
Formula C28H26N2O2S2
InChI InChI=1S/C28H26N2O2S2/c1-21-14-16-22(17-15-21)19-25-27(32)29(28(33)34-25)18-8-13-26(31)30(24-11-6-3-7-12-24)20-23-9-4-2-5-10-23/h2-7,9-12,14-17,19H,8,13,18,20H2,1H3/b25-19-
InChIKey GPWFGCPBHPIKSW-PLRJNAJWSA-N
Molecular Weight 486.648 g/mol
SMILES C1=CC=C(N(C(CCCN2C(S\C(C2=O)=C\C2=CC=C(C=C2)C)=S)=O)CC2=CC=CC=C2)C=C1