methyl 4-[[(E)-(2-nitrophenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-(2-nitrophenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-(2-nitrophenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(2-nitrophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-(2-nitrobenzylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NN=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-24-15(21)11-6-8-13(9-7-11)18-16(25)19-17-10-12-4-2-3-5-14(12)20(22)23/h2-10H,1H3,(H2,18,19,25)/b17-10+