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

Systemtic Name: methyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H15F3N2O2S2 MolecularWeight: 436.47051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2O2S2/c1-27-18(26)15-11-16(12-5-3-2-4-6-12)29-17(15)25-19(28)24-14-9-7-13(8-10-14)20(21,22)23/h2-11H,1H3,(H2,24,25,28)