ethyl 4-[(4-azanyl-3-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-azanyl-3-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-amino-3-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-amino-3-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-amino-3-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-amino-3-nitro-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-2-24-15(21)10-3-5-11(6-4-10)18-16(25)19-12-7-8-13(17)14(9-12)20(22)23/h3-9H,2,17H2,1H3,(H2,18,19,25)