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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C)C

InChI

InChI=1S/C17H18N4O5S2/c1-9-12(16(23)26-4)14(28-13(9)15(22)20(2)3)19-17(27)18-10-5-7-11(8-6-10)21(24)25/h5-8H,1-4H3,(H2,18,19,27)