methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(3-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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