(5E)-2-(4-benzhydrylpiperazin-1-yl)-5-[(2,5-dimethoxyphenyl)methylene]thiazol-4-one

SpectraBase Compound ID	GdPbdGw0iIm
InChI	InChI=1S/C29H29N3O3S/c1-34-24-13-14-25(35-2)23(19-24)20-26-28(33)30-29(36-26)32-17-15-31(16-18-32)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,27H,15-18H2,1-2H3/b26-20+
InChIKey	NKIPXJWEFVEOOG-LHLOQNFPSA-N Google Search
Mol Weight	499.63 g/mol
Molecular Formula	C29H29N3O3S
Exact Mass	499.192963 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	CqRaGciRgq0
Name	(5E)-2-(4-Benzhydrylpiperazin-1-yl)-5-[(2,5-dimethoxyphenyl)methylene]thiazol-4-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/c1-34-24-13-14-25(35-2)23(19-24)20-26-28(33)30-29(36-26)32-17-15-31(16-18-32)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,27H,15-18H2,1-2H3/b26-20+
InChIKey	NKIPXJWEFVEOOG-LHLOQNFPSA-N
Molecular Weight	499.629 g/mol
SMILES	C=1C=CC(C(N2CCN(C3=NC(\C(=C/C=4C(=CC=C(C4)OC)OC)S3)=O)CC2)C2=CC=CC=C2)=CC1