2-(3-Benzo[1,3]dioxol-5-yl-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)-N-phenyl-acetamide

SpectraBase Compound ID	8J9Q478Zm6M
InChI	InChI=1S/C24H19N3O4S/c28-22(25-16-7-3-1-4-8-16)14-19-23(29)27(17-9-5-2-6-10-17)24(32)26(19)18-11-12-20-21(13-18)31-15-30-20/h1-13,19H,14-15H2,(H,25,28)
InChIKey	FHLSCAXVZCNRME-UHFFFAOYSA-N Google Search
Mol Weight	445.49 g/mol
Molecular Formula	C24H19N3O4S
Exact Mass	445.109627 g/mol

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SpectraBase Spectrum ID	CxEI4cXufPs
Name	2-(3-Benzo[1,3]dioxol-5-yl-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)-N-phenyl-acetamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	445.109627274 u
Formula	C24H19N3O4S
InChI	InChI=1S/C24H19N3O4S/c28-22(25-16-7-3-1-4-8-16)14-19-23(29)27(17-9-5-2-6-10-17)24(32)26(19)18-11-12-20-21(13-18)31-15-30-20/h1-13,19H,14-15H2,(H,25,28)
InChIKey	FHLSCAXVZCNRME-UHFFFAOYSA-N
Molecular Weight	445.493 g/mol
SMILES	C1=CC=C(NC(CC2C(N(C(N2C2=CC=3OCOC3C=C2)=S)C2=CC=CC=C2)=O)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.93585