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

Systemtic Name: methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H13F3N2O2S2 MolecularWeight: 374.40113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N2O2S2/c1-8-7-11(13(21)22-2)12(24-8)20-14(23)19-10-5-3-9(4-6-10)15(16,17)18/h3-7H,1-2H3,(H2,19,20,23)