methyl 2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-fluoro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-fluoro-5-(trifluoromethyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H14F4N2O2S2 MolecularWeight: 454.460973

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)F

InChI

InChI=1S/C20H14F4N2O2S2/c1-28-18(27)13-10-16(11-5-3-2-4-6-11)30-17(13)26-19(29)25-15-9-12(20(22,23)24)7-8-14(15)21/h2-10H,1H3,(H2,25,26,29)