methyl 4-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(3-nitrobenzoyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-nitrobenzoyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(3-nitrobenzoyl)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c1-25-15(22)10-5-7-12(8-6-10)17-16(26)19-18-14(21)11-3-2-4-13(9-11)20(23)24/h2-9H,1H3,(H,18,21)(H2,17,19,26)