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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(4-fluoranyl-2-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(4-fluoro-2-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(4-fluoro-2-nitroanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(4-fluoro-2-nitrophenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(4-fluoro-2-nitro-phenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H21FN4O5S2 MolecularWeight: 468.522243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O5S2/c1-5-23(6-2)17(25)15-10(3)14(18(26)29-4)16(31-15)22-19(30)21-12-8-7-11(20)9-13(12)24(27)28/h7-9H,5-6H2,1-4H3,(H2,21,22,30)