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(5E)-5-(4-ethoxybenzylidene)-2-[4-(1-naphthyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
SpectraBase Compound ID KdRozztmHdk
InChI InChI=1S/C26H25N3O2S/c1-2-31-21-12-10-19(11-13-21)18-24-25(30)27-26(32-24)29-16-14-28(15-17-29)23-9-5-7-20-6-3-4-8-22(20)23/h3-13,18H,2,14-17H2,1H3/b24-18+
InChIKey FULHIMNNQRTLPO-HKOYGPOVSA-N
Mol Weight 443.57 g/mol
Molecular Formula C26H25N3O2S
Exact Mass 443.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3EdNHCzTvR
Name (5E)-5-(4-Ethoxybenzylidene)-2-[4-(1-naphthyl)-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 443.166748229 u
Formula C26H25N3O2S
InChI InChI=1S/C26H25N3O2S/c1-2-31-21-12-10-19(11-13-21)18-24-25(30)27-26(32-24)29-16-14-28(15-17-29)23-9-5-7-20-6-3-4-8-22(20)23/h3-13,18H,2,14-17H2,1H3/b24-18+
InChIKey FULHIMNNQRTLPO-HKOYGPOVSA-N
Molecular Weight 443.565 g/mol
SMILES C=1C=CC2=C(N3CCN(C4=NC(\C(=C/C5=CC=C(C=C5)OCC)S4)=O)CC3)C=CC=C2C1