Benzoic acid, 4-[3-[[[(4-methoxyphenyl)amino]carbonothioyl](2-phenylethyl)amino]-2,5-dioxo-1-pyrrolidinyl]-, ethyl ester

SpectraBase Compound ID	7FAaVttfC3r
InChI	InChI=1S/C29H29N3O5S/c1-3-37-28(35)21-9-13-23(14-10-21)32-26(33)19-25(27(32)34)31(18-17-20-7-5-4-6-8-20)29(38)30-22-11-15-24(36-2)16-12-22/h4-16,25H,3,17-19H2,1-2H3,(H,30,38)
InChIKey	GGZGLTDEMQURMI-UHFFFAOYSA-N Google Search
Mol Weight	531.63 g/mol
Molecular Formula	C29H29N3O5S
Exact Mass	531.182792 g/mol

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SpectraBase Spectrum ID	844A77gY1KT
Name	Benzoic acid, 4-[3-[[[(4-methoxyphenyl)amino]carbonothioyl](2-phenylethyl)amino]-2,5-dioxo-1-pyrrolidinyl]-, ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	531.182792215 u
Formula	C29H29N3O5S
InChI	InChI=1S/C29H29N3O5S/c1-3-37-28(35)21-9-13-23(14-10-21)32-26(33)19-25(27(32)34)31(18-17-20-7-5-4-6-8-20)29(38)30-22-11-15-24(36-2)16-12-22/h4-16,25H,3,17-19H2,1-2H3,(H,30,38)
InChIKey	GGZGLTDEMQURMI-UHFFFAOYSA-N
Molecular Weight	531.627 g/mol
SMILES	N(C(N(C1C(N(C(C1)=O)C1=CC=C(C(=O)OCC)C=C1)=O)CCC=1C=CC=CC1)=S)C=1C=CC(=CC1)OC