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(5E)-5-[4-(diethylamino)benzylidene]-2-[4-(3-methylphenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
SpectraBase Compound ID K7OcAjS76i5
InChI InChI=1S/C25H30N4OS/c1-4-27(5-2)21-11-9-20(10-12-21)18-23-24(30)26-25(31-23)29-15-13-28(14-16-29)22-8-6-7-19(3)17-22/h6-12,17-18H,4-5,13-16H2,1-3H3/b23-18+
InChIKey IMLUMYBBMMHCFQ-PTGBLXJZSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H30N4OS
Exact Mass 434.214033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GO8lY6eOpYD
Name (5E)-5-[4-(Diethylamino)benzylidene]-2-[4-(3-methylphenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.214032775 u
Formula C25H30N4OS
InChI InChI=1S/C25H30N4OS/c1-4-27(5-2)21-11-9-20(10-12-21)18-23-24(30)26-25(31-23)29-15-13-28(14-16-29)22-8-6-7-19(3)17-22/h6-12,17-18H,4-5,13-16H2,1-3H3/b23-18+
InChIKey IMLUMYBBMMHCFQ-PTGBLXJZSA-N
Molecular Weight 434.602 g/mol
SMILES CCN(C1=CC=C(\C=C/2C(N=C(S2)N2CCN(CC2)C2=CC(C)=CC=C2)=O)C=C1)CC