ethyl 4-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-2-26-17(23)12-3-5-13(6-4-12)19-18(28)20-16(22)11-27-15-9-7-14(8-10-15)21(24)25/h3-10H,2,11H2,1H3,(H2,19,20,22,28)