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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[(4-fluoranyl-3-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[(4-fluoro-3-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[(4-fluoro-3-nitrophenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(4-fluoro-3-nitro-phenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H17FN4O5S2 MolecularWeight: 440.469083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O5S2/c1-8-12(16(24)27-4)14(29-13(8)15(23)21(2)3)20-17(28)19-9-5-6-10(18)11(7-9)22(25)26/h5-7H,1-4H3,(H2,19,20,28)