methyl 4-[[(2,4-dinitrophenyl)amino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(2,4-dinitrophenyl)amino]carbamothioylamino]benzoate Openeye Name: methyl 4-[(2,4-dinitroanilino)carbamothioylamino]benzoate CAS Name: 4-[[[(2,4-dinitrophenyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,4-dinitroanilino)carbamothioylamino]benzoate Traditional Name: 4-[(2,4-dinitroanilino)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H13N5O6S MolecularWeight: 391.35862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O6S/c1-26-14(21)9-2-4-10(5-3-9)16-15(27)18-17-12-7-6-11(19(22)23)8-13(12)20(24)25/h2-8,17H,1H3,(H2,16,18,27)