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

Systemtic Name: ethyl 4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-methyl-2-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C16H15F3N2O2S2 MolecularWeight: 388.42771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C)NC(=S)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C)NC(=S)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3N2O2S2/c1-3-23-14(22)12-9(2)8-25-13(12)21-15(24)20-11-6-4-10(5-7-11)16(17,18)19/h4-8H,3H2,1-2H3,(H2,20,21,24)