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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-nitro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H21F3N4O5S2 MolecularWeight: 518.52975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C20H21F3N4O5S2/c1-5-26(6-2)17(28)15-10(3)14(18(29)32-4)16(34-15)25-19(33)24-13-8-7-11(27(30)31)9-12(13)20(21,22)23/h7-9H,5-6H2,1-4H3,(H2,24,25,33)