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(2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
SpectraBase Compound ID H4l6bL6vxn2
InChI InChI=1S/C28H26F3N3O4S/c1-37-22-12-11-18(15-23(22)38-2)13-14-32-27(33-20-8-6-7-19(16-20)28(29,30)31)39-24-17-25(35)34(26(24)36)21-9-4-3-5-10-21/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,33)
InChIKey VEVCYRICYIRONL-UHFFFAOYSA-N
Mol Weight 557.59 g/mol
Molecular Formula C28H26F3N3O4S
Exact Mass 557.159612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeMBtd5eujG
Name (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
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Formula C28H26F3N3O4S
InChI InChI=1S/C28H26F3N3O4S/c1-37-22-12-11-18(15-23(22)38-2)13-14-32-27(33-20-8-6-7-19(16-20)28(29,30)31)39-24-17-25(35)34(26(24)36)21-9-4-3-5-10-21/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,33)
InChIKey VEVCYRICYIRONL-UHFFFAOYSA-N
Molecular Weight 557.588 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)c1ccccc1)=O)=N\c1cc(C(F)(F)F)ccc1)CCc1cc(OC)c(cc1)OC
SPLASH splash10-03di-5900000000-c1ec05de26d1ae897997
Synonyms 2,5-Dioxo-1-phenyl-3-pyrrolidinyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]imidothiocarbamate 2-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)-3-homoveratryl-1-[3-(trifluoromethyl)phenyl]isothiourea 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]isothiourea N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamimidothioic acid (2,5-dioxo-1-phenyl-3-pyrrolidinyl) ester
Wiley ID 1446568