ethyl 4-[[(2-nitro-4-sulfamoyl-phenyl)amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2-nitro-4-sulfamoyl-phenyl)amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-nitro-4-sulfamoyl-anilino)carbamothioylamino]benzoate CAS Name: 4-[[[(2-nitro-4-sulfamoylphenyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-nitro-4-sulfamoylanilino)carbamothioylamino]benzoate Traditional Name: 4-[(2-nitro-4-sulfamoyl-anilino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H17N5O6S2 MolecularWeight: 439.46608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O6S2/c1-2-27-15(22)10-3-5-11(6-4-10)18-16(28)20-19-13-8-7-12(29(17,25)26)9-14(13)21(23)24/h3-9,19H,2H2,1H3,(H2,17,25,26)(H2,18,20,28)