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

Systemtic Name: propyl 4-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6S/c1-2-11-27-18(24)13-3-5-14(6-4-13)20-19(29)21-17(23)12-28-16-9-7-15(8-10-16)22(25)26/h3-10H,2,11-12H2,1H3,(H2,20,21,23,29)