methyl 3-[(5-nitrothiophen-3-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[(5-nitrothiophen-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(5-nitrothiophene-3-carbonyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(5-nitro-3-thiophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-nitrothiophene-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 3-[(5-nitrothiophene-3-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H11N3O5S2 MolecularWeight: 365.38424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CSC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CSC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S2/c1-22-13(19)8-3-2-4-10(5-8)15-14(23)16-12(18)9-6-11(17(20)21)24-7-9/h2-7H,1H3,(H2,15,16,18,23)