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

SpectraBase Compound ID	KORNceppWmW
InChI	InChI=1S/C29H28FN3O5S/c1-3-38-28(36)20-6-12-23(13-7-20)33-27(35)25(18-26(34)31-22-10-8-21(30)9-11-22)32(29(33)39)17-16-19-4-14-24(37-2)15-5-19/h4-15,25H,3,16-18H2,1-2H3,(H,31,34)
InChIKey	UAPXXCXUGKXKEI-UHFFFAOYSA-N Google Search
Mol Weight	549.62 g/mol
Molecular Formula	C29H28FN3O5S
Exact Mass	549.17337 g/mol

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SpectraBase Spectrum ID	FRLAKRPXU6K
Name	ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)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/C29H28FN3O5S/c1-3-38-28(36)20-6-12-23(13-7-20)33-27(35)25(18-26(34)31-22-10-8-21(30)9-11-22)32(29(33)39)17-16-19-4-14-24(37-2)15-5-19/h4-15,25H,3,16-18H2,1-2H3,(H,31,34)
InChIKey	UAPXXCXUGKXKEI-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2067
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: D02275; Labnumber: MPOL-09639; SBI_ID: SBI-002069
Temperature	308 °C