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carbamimidothioic acid, N-[4-(chlorodifluoromethoxy)phenyl]-N'-[(Z)-ethyl]-, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

carbamimidothioic acid, N-[4-(chlorodifluoromethoxy)phenyl]-N'-[(Z)-ethyl]-, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID Fhi8CU6nkbj
InChI InChI=1S/C20H17ClF3N3O3S/c1-2-25-19(26-13-5-9-15(10-6-13)30-20(21,23)24)31-16-11-17(28)27(18(16)29)14-7-3-12(22)4-8-14/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey PXUVRUXDSOAIRM-UHFFFAOYSA-N
Mol Weight 471.88 g/mol
Molecular Formula C20H17ClF3N3O3S
Exact Mass 471.063125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILrENcbs4OA
Name 1-[4-[chloro(difluoro)methoxy]phenyl]-3-ethyl-2-[1-(4-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]isothiourea
Alternate Name(s) 1-[4-[chloro(difluoro)methoxy]phenyl]-3-ethyl-2-[1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea N-[4-[chloro(difluoro)methoxy]phenyl]-N'-ethylcarbamimidothioic acid [1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl] ester [1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] N-[4-[chloro(difluoro)methoxy]phenyl]-N'-ethylcarbamimidothioate
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Formula C20H17ClF3N3O3S
InChI InChI=1S/C20H17ClF3N3O3S/c1-2-25-19(26-13-5-9-15(10-6-13)30-20(21,23)24)31-16-11-17(28)27(18(16)29)14-7-3-12(22)4-8-14/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey PXUVRUXDSOAIRM-UHFFFAOYSA-N
Molecular Weight 471.882 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)c1ccc(cc1)F)=O)=N/c1ccc(OC(Cl)(F)F)cc1)CC
SPLASH splash10-08gr-9832000000-2b8dbb03a75dd941de2e
Wiley ID 1448240