methyl 2-[[(4-nitrophenyl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[(4-nitrophenyl)carbonylamino]carbamothioylamino]benzoate Openeye Name: methyl 2-[[(4-nitrobenzoyl)amino]carbamothioylamino]benzoate CAS Name: 2-[[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4-nitrobenzoyl)amino]carbamothioylamino]benzoate Traditional Name: 2-[[(4-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=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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