methyl 3-nitro-5-[(2-thiophen-2-ylethylcarbamothioylamino)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-thiophen-2-ylethylcarbamothioylamino)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[2-(2-thienyl)ethylcarbamothioylamino]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[sulfanylidene-(2-thiophen-2-ylethylamino)methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(2-thiophen-2-ylethylcarbamothioylamino)carbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-(2-thienyl)ethylthiocarbamoylamino]carbamoyl]benzoic acid methyl ester Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=S)NCCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=S)NCCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5S2/c1-25-15(22)11-7-10(8-12(9-11)20(23)24)14(21)18-19-16(26)17-5-4-13-3-2-6-27-13/h2-3,6-9H,4-5H2,1H3,(H,18,21)(H2,17,19,26)