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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methyl-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methyl-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methyl-5-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(2-methyl-5-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S2/c1-6-23(7-2)18(25)16-12(4)15(19(26)29-5)17(31-16)22-20(30)21-14-10-13(24(27)28)9-8-11(14)3/h8-10H,6-7H2,1-5H3,(H2,21,22,30)