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

View entire compound with spectra: 1 NMR

benzoic acid, 4-[[[3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-[3-(methylthio)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID 3kCIaL4kEec
InChI InChI=1S/C34H38FN5O4S2/c1-3-44-33(43)24-8-12-26(13-9-24)36-31(41)23-30-32(42)40(28-6-4-7-29(22-28)46-2)34(45)39(30)17-5-16-37-18-20-38(21-19-37)27-14-10-25(35)11-15-27/h4,6-15,22,30H,3,5,16-21,23H2,1-2H3,(H,36,41)
InChIKey NVKURPARSUEINQ-UHFFFAOYSA-N
Mol Weight 663.8 g/mol
Molecular Formula C34H38FN5O4S2
Exact Mass 663.234925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LolTBvd41uW
Name benzoic acid, 4-[[[3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-[3-(methylthio)phenyl]-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/C34H38FN5O4S2/c1-3-44-33(43)24-8-12-26(13-9-24)36-31(41)23-30-32(42)40(28-6-4-7-29(22-28)46-2)34(45)39(30)17-5-16-37-18-20-38(21-19-37)27-14-10-25(35)11-15-27/h4,6-15,22,30H,3,5,16-21,23H2,1-2H3,(H,36,41)
InChIKey NVKURPARSUEINQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8472
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/12258859