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

Systemtic Name: methyl 4-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c1-25-16(22)11-2-4-12(5-3-11)18-17(27)19-15(21)10-26-14-8-6-13(7-9-14)20(23)24/h2-9H,10H2,1H3,(H2,18,19,21,27)