ethyl 4-[[(E)-(4-nitrophenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(E)-(4-nitrophenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(E)-(4-nitrophenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-(4-nitrophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-(4-nitrobenzylidene)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c1-2-25-16(22)13-5-7-14(8-6-13)19-17(26)20-18-11-12-3-9-15(10-4-12)21(23)24/h3-11H,2H2,1H3,(H2,19,20,26)/b18-11+