propyl 4-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C18H16N4O7S MolecularWeight: 432.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O7S/c1-2-7-29-17(24)11-3-5-13(6-4-11)19-18(30)20-16(23)12-8-14(21(25)26)10-15(9-12)22(27)28/h3-6,8-10H,2,7H2,1H3,(H2,19,20,23,30)