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

Systemtic Name: 2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 4-(trifluoromethyloxy)benzoate Openeye Name: 2-[(4-fluoroindan-1-yl)carbamothioylamino]ethyl 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)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 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid 2-[(4-fluoroindan-1-yl)thiocarbamoylamino]ethyl ester Formula: C20H18F4N2O3S MolecularWeight: 442.427133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F4N2O3S/c21-16-3-1-2-15-14(16)8-9-17(15)26-19(30)25-10-11-28-18(27)12-4-6-13(7-5-12)29-20(22,23)24/h1-7,17H,8-11H2,(H2,25,26,30)