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(5E)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-(4-propoxybenzylidene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID FHMtdRrGoqP
InChI InChI=1S/C24H26ClN3O2S/c1-3-14-30-20-8-5-18(6-9-20)15-22-23(29)26-24(31-22)28-12-10-27(11-13-28)19-7-4-17(2)21(25)16-19/h4-9,15-16H,3,10-14H2,1-2H3/b22-15+
InChIKey WJXLXXAWZQDLRQ-PXLXIMEGSA-N
Mol Weight 456.0 g/mol
Molecular Formula C24H26ClN3O2S
Exact Mass 455.143426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDhCAM8Ju8A
Name (5E)-2-[4-(3-Chloro-4-methylphenyl)-1-piperazinyl]-5-(4-propoxybenzylidene)-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.143425961 u
Formula C24H26ClN3O2S
InChI InChI=1S/C24H26ClN3O2S/c1-3-14-30-20-8-5-18(6-9-20)15-22-23(29)26-24(31-22)28-12-10-27(11-13-28)19-7-4-17(2)21(25)16-19/h4-9,15-16H,3,10-14H2,1-2H3/b22-15+
InChIKey WJXLXXAWZQDLRQ-PXLXIMEGSA-N
Molecular Weight 456.004 g/mol
SMILES CCCOC=1C=CC(\C=C/2C(N=C(S2)N2CCN(CC2)C2=CC(Cl)=C(C=C2)C)=O)=CC1