2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 2-(trifluoromethyl)benzoate

Systemtic Name: 2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 2-(trifluoromethyl)benzoate Openeye Name: 2-[(4-fluoroindan-1-yl)carbamothioylamino]ethyl 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid 2-[[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid 2-[(4-fluoroindan-1-yl)thiocarbamoylamino]ethyl ester Formula: C20H18F4N2O2S MolecularWeight: 426.427733

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1NC(=S)NCCOC(=O)C3=CC=CC=C3C(F)(F)F)C=CC=C2F

Isomeric SMILES

C1CC2=C(C1NC(=S)NCCOC(=O)C3=CC=CC=C3C(F)(F)F)C=CC=C2F

InChI

InChI=1S/C20H18F4N2O2S/c21-16-7-3-5-13-12(16)8-9-17(13)26-19(29)25-10-11-28-18(27)14-4-1-2-6-15(14)20(22,23)24/h1-7,17H,8-11H2,(H2,25,26,29)