(2-oxidanylideneoxolan-3-yl) N'-[3-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) N'-[3-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-(2-oxotetrahydrofuran-3-yl)-3-[3-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[3-(trifluoromethyl)phenyl]carbamimidothioic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) N'-[3-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-(2-ketotetrahydrofuran-3-yl)-3-[3-(trifluoromethyl)phenyl]isothiourea Formula: C12H11F3N2O2S MolecularWeight: 304.28815

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC(=NC2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

C1COC(=O)C1SC(=NC2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C12H11F3N2O2S/c13-12(14,15)7-2-1-3-8(6-7)17-11(16)20-9-4-5-19-10(9)18/h1-3,6,9H,4-5H2,(H2,16,17)