ethyl 2-[[4-(diethylamino)phenyl]carbonylcarbamothioylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(diethylamino)phenyl]carbonylcarbamothioylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(diethylamino)benzoyl]carbamothioylamino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[[[[4-(diethylamino)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(diethylamino)benzoyl]carbamothioylamino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[4-(diethylamino)benzoyl]thiocarbamoylamino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C19H22N4O5S2 MolecularWeight: 450.53178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(S2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(S2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H22N4O5S2/c1-4-22(5-2)13-9-7-12(8-10-13)16(24)20-19(29)21-17-14(18(25)28-6-3)11-15(30-17)23(26)27/h7-11H,4-6H2,1-3H3,(H2,20,21,24,29)