benzoic acid, 4-[3-[3-(4-ethyl-1-piperazinyl)propyl]-4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester

SpectraBase Compound ID	9So2XRjAzwC
InChI	InChI=1S/C29H36FN5O4S/c1-3-32-16-18-33(19-17-32)14-5-15-34-25(20-26(36)31-23-10-8-22(30)9-11-23)27(37)35(29(34)40)24-12-6-21(7-13-24)28(38)39-4-2/h6-13,25H,3-5,14-20H2,1-2H3,(H,31,36)
InChIKey	ABCUITZXCFTYMT-UHFFFAOYSA-N Google Search
Mol Weight	569.7 g/mol
Molecular Formula	C29H36FN5O4S
Exact Mass	569.247204 g/mol

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SpectraBase Spectrum ID	7fJgJzsY7FN
Name	benzoic acid, 4-[3-[3-(4-ethyl-1-piperazinyl)propyl]-4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester
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/C29H36FN5O4S/c1-3-32-16-18-33(19-17-32)14-5-15-34-25(20-26(36)31-23-10-8-22(30)9-11-23)27(37)35(29(34)40)24-12-6-21(7-13-24)28(38)39-4-2/h6-13,25H,3-5,14-20H2,1-2H3,(H,31,36)
InChIKey	ABCUITZXCFTYMT-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_6737
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: NMR/11328366