methyl 2-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]pyridine-3-carboxylate

Systemtic Name: methyl 2-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]pyridine-3-carboxylate Openeye Name: methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate CAS Name: 2-[[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-nitrobenzoyl)amino]carbamothioylamino]pyridine-3-carboxylate Traditional Name: 2-[[(3-nitrobenzoyl)amino]thiocarbamoylamino]nicotinic acid methyl ester Formula: C15H13N5O5S MolecularWeight: 375.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O5S/c1-25-14(22)11-6-3-7-16-12(11)17-15(26)19-18-13(21)9-4-2-5-10(8-9)20(23)24/h2-8H,1H3,(H,18,21)(H2,16,17,19,26)