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

View entire compound with spectra: 1 NMR

benzoic acid, 4-[[[3-[3-(4-ethyl-1-piperazinyl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID GbkCBKIMUIj
InChI InChI=1S/C30H39N5O5S/c1-4-32-17-19-33(20-18-32)15-6-16-34-26(28(37)35(30(34)41)24-11-13-25(39-3)14-12-24)21-27(36)31-23-9-7-22(8-10-23)29(38)40-5-2/h7-14,26H,4-6,15-21H2,1-3H3,(H,31,36)
InChIKey RONPPAPRHQFSSL-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C30H39N5O5S
Exact Mass 581.267191 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5oFvzldQucf
Name benzoic acid, 4-[[[3-[3-(4-ethyl-1-piperazinyl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, 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/C30H39N5O5S/c1-4-32-17-19-33(20-18-32)15-6-16-34-26(28(37)35(30(34)41)24-11-13-25(39-3)14-12-24)21-27(36)31-23-9-7-22(8-10-23)29(38)40-5-2/h7-14,26H,4-6,15-21H2,1-3H3,(H,31,36)
InChIKey RONPPAPRHQFSSL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6745
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/11328375