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(5E)-2-(4-benzhydryl-1-piperazinyl)-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one

View entire compound with spectra: 2 NMR

(5E)-2-(4-benzhydryl-1-piperazinyl)-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID FlXAxGeMRAZ
InChI InChI=1S/C29H29N3O3S/c1-34-24-14-13-21(19-25(24)35-2)20-26-28(33)30-29(36-26)32-17-15-31(16-18-32)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19-20,27H,15-18H2,1-2H3/b26-20+
InChIKey PUAGBDQLGKMIBQ-LHLOQNFPSA-N
Mol Weight 499.63 g/mol
Molecular Formula C29H29N3O3S
Exact Mass 499.192963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50c6LHcZ58M
Name (5E)-2-(4-Benzhydryl-1-piperazinyl)-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.192962977 u
Formula C29H29N3O3S
InChI InChI=1S/C29H29N3O3S/c1-34-24-14-13-21(19-25(24)35-2)20-26-28(33)30-29(36-26)32-17-15-31(16-18-32)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19-20,27H,15-18H2,1-2H3/b26-20+
InChIKey PUAGBDQLGKMIBQ-LHLOQNFPSA-N
Molecular Weight 499.629 g/mol
SMILES C=1C=CC(C(N2CCN(C3=NC(\C(=C/C=4C=C(OC)C(=CC4)OC)S3)=O)CC2)C=2C=CC=CC2)=CC1