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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H17F3N2O2S2 MolecularWeight: 450.49709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(=O)OC)C3=CC=CC=C3

InChI

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