propyl 4-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-nitrobenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-2-10-26-17(23)12-6-8-14(9-7-12)19-18(27)20-16(22)13-4-3-5-15(11-13)21(24)25/h3-9,11H,2,10H2,1H3,(H2,19,20,22,27)