4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)-N-[4-oxo-2-(4-methylphenyl)thiazolidin-3-yl]benzamide

SpectraBase Compound ID	Ec62M6DchNU
InChI	InChI=1S/C31H22Br2N4O3S/c1-18-7-9-21(10-8-18)31-37(26(38)17-41-31)35-29(39)20-11-13-23(14-12-20)36-28(19-5-3-2-4-6-19)34-27-24(30(36)40)15-22(32)16-25(27)33/h2-16,31H,17H2,1H3,(H,35,39)
InChIKey	IHLYWMOJAQJODT-UHFFFAOYSA-N Google Search
Mol Weight	690.41 g/mol
Molecular Formula	C31H22Br2N4O3S
Exact Mass	687.977938 g/mol

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SpectraBase Spectrum ID	G3dbfc0j9Fx
Name	4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)-N-[4-oxo-2-(4-methylphenyl)thiazolidin-3-yl]benzamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	687.977937755 u
Formula	C31H22Br2N4O3S
InChI	InChI=1S/C31H22Br2N4O3S/c1-18-7-9-21(10-8-18)31-37(26(38)17-41-31)35-29(39)20-11-13-23(14-12-20)36-28(19-5-3-2-4-6-19)34-27-24(30(36)40)15-22(32)16-25(27)33/h2-16,31H,17H2,1H3,(H,35,39)
InChIKey	IHLYWMOJAQJODT-UHFFFAOYSA-N
SMILES	C1(N(C(=NC=2C(=CC(=CC12)Br)Br)C=1C=CC=CC1)C1=CC=C(C(NN2C(SCC2=O)C2=CC=C(C=C2)C)=O)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.926785