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

Systemtic Name: methyl 4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H15F3N2O2S2 MolecularWeight: 388.42771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C(F)(F)F)C

InChI

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