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

Systemtic Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C14H11F3N2O2S2 MolecularWeight: 360.37455

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O2S2/c1-21-12(20)11-10(5-6-23-11)19-13(22)18-9-4-2-3-8(7-9)14(15,16)17/h2-7H,1H3,(H2,18,19,22)