ethyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H17F3N2O2S2 MolecularWeight: 450.49709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N2O2S2/c1-2-28-19(27)16-12-17(13-6-4-3-5-7-13)30-18(16)26-20(29)25-15-10-8-14(9-11-15)21(22,23)24/h3-12H,2H2,1H3,(H2,25,26,29)