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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H19F3N2O2S2 MolecularWeight: 464.52367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H19F3N2O2S2/c1-3-29-20(28)18-17(14-8-5-4-6-9-14)13(2)31-19(18)27-21(30)26-16-11-7-10-15(12-16)22(23,24)25/h4-12H,3H2,1-2H3,(H2,26,27,30)