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

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

carbamimidothioic acid, N'-[(Z)-heptyl]-N-(4-methoxyphenyl)-, 1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID 9rWlDc3IDUH
InChI InChI=1S/C26H30ClF2N3O4S/c1-3-4-5-6-7-16-30-25(31-18-8-12-20(35-2)13-9-18)37-22-17-23(33)32(24(22)34)19-10-14-21(15-11-19)36-26(27,28)29/h8-15,22H,3-7,16-17H2,1-2H3,(H,30,31)
InChIKey SVDFXGYCKITSEW-UHFFFAOYSA-N
Mol Weight 554.05 g/mol
Molecular Formula C26H30ClF2N3O4S
Exact Mass 553.161362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AL9a27Bbzl4
Name 2-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-diketo-pyrrolidin-3-yl]-3-heptyl-1-(4-methoxyphenyl)isothiourea
Alternate Name(s) 2-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxo-pyrrolidin-3-yl]-3-heptyl-1-(4-methoxyphenyl)isothiourea N'-heptyl-N-(4-methoxyphenyl)carbamimidothioic acid [1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxo-3-pyrrolidinyl] ester [1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxopyrrolidin-3-yl] N'-heptyl-N-(4-methoxyphenyl)carbamimidothioate
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Formula C26H30ClF2N3O4S
InChI InChI=1S/C26H30ClF2N3O4S/c1-3-4-5-6-7-16-30-25(31-18-8-12-20(35-2)13-9-18)37-22-17-23(33)32(24(22)34)19-10-14-21(15-11-19)36-26(27,28)29/h8-15,22H,3-7,16-17H2,1-2H3,(H,30,31)
InChIKey SVDFXGYCKITSEW-UHFFFAOYSA-N
Molecular Weight 554.053 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)c1ccc(OC(F)(Cl)F)cc1)=O)=N/c1ccc(cc1)OC)CCCCCCC
SPLASH splash10-0a5m-9830000000-94aab68f01c68213762a
Wiley ID 1448241