tert-butyl 4-[[2,2,2-tris(fluoranyl)ethylcarbamothioylamino]methyl]benzoate

Systemtic Name: tert-butyl 4-[[2,2,2-tris(fluoranyl)ethylcarbamothioylamino]methyl]benzoate Openeye Name: tert-butyl 4-[(2,2,2-trifluoroethylcarbamothioylamino)methyl]benzoate CAS Name: 4-[[[sulfanylidene-(2,2,2-trifluoroethylamino)methyl]amino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2,2,2-trifluoroethylcarbamothioylamino)methyl]benzoate Traditional Name: 4-[(2,2,2-trifluoroethylthiocarbamoylamino)methyl]benzoic acid tert-butyl ester Formula: C15H19F3N2O2S MolecularWeight: 348.38377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CNC(=S)NCC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CNC(=S)NCC(F)(F)F

InChI

InChI=1S/C15H19F3N2O2S/c1-14(2,3)22-12(21)11-6-4-10(5-7-11)8-19-13(23)20-9-15(16,17)18/h4-7H,8-9H2,1-3H3,(H2,19,20,23)