ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate

SpectraBase Compound ID	IQCW6eovfw0
InChI	InChI=1S/C28H25ClFN3O4S/c1-2-37-27(36)19-5-13-23(14-6-19)33-26(35)24(17-25(34)31-22-11-7-20(29)8-12-22)32(28(33)38)16-15-18-3-9-21(30)10-4-18/h3-14,24H,2,15-17H2,1H3,(H,31,34)
InChIKey	JJSGRJPLOGKLMG-UHFFFAOYSA-N Google Search
Mol Weight	554.04 g/mol
Molecular Formula	C28H25ClFN3O4S
Exact Mass	553.123833 g/mol

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SpectraBase Spectrum ID	Cn71OJjI6pE
Name	ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H25ClFN3O4S/c1-2-37-27(36)19-5-13-23(14-6-19)33-26(35)24(17-25(34)31-22-11-7-20(29)8-12-22)32(28(33)38)16-15-18-3-9-21(30)10-4-18/h3-14,24H,2,15-17H2,1H3,(H,31,34)
InChIKey	JJSGRJPLOGKLMG-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_1188
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: C94490; Labnumber: MPOL-16349; SBI_ID: SBI-001190
Temperature	318 °C