For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[[2-[3-[2-(4-fluorophenyl)ethyl]-5-keto-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID HfSk1PsRviS
InChI InChI=1S/C28H26FN3O4S/c1-2-36-27(35)20-10-14-22(15-11-20)30-25(33)18-24-26(34)32(23-6-4-3-5-7-23)28(37)31(24)17-16-19-8-12-21(29)13-9-19/h3-15,24H,2,16-18H2,1H3,(H,30,33)
InChIKey WJZIVEWXIBPPDO-UHFFFAOYSA-N
Mol Weight 519.59 g/mol
Molecular Formula C28H26FN3O4S
Exact Mass 519.162806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6E0zbFumi1r
Name 4-[[2-[3-[2-(4-fluorophenyl)ethyl]-5-keto-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26FN3O4S
InChI InChI=1S/C28H26FN3O4S/c1-2-36-27(35)20-10-14-22(15-11-20)30-25(33)18-24-26(34)32(23-6-4-3-5-7-23)28(37)31(24)17-16-19-8-12-21(29)13-9-19/h3-15,24H,2,16-18H2,1H3,(H,30,33)
InChIKey WJZIVEWXIBPPDO-UHFFFAOYSA-N
Molecular Weight 519.591 g/mol
SMILES N(C(CC1C(N(C(N1CCc1ccc(cc1)F)=S)c1ccccc1)=O)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-0kmi-7940010000-d9d159449ccd3efffc65
Synonyms 4-[[2-[3-[2-(4-fluorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[3-[2-(4-fluorophenyl)ethyl]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Ethyl 4-[[2-[3-[2-(4-fluorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Ethyl 4-[[2-[3-[2-(4-fluorophenyl)ethyl]-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Wiley ID 1442475