ethyl 4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-nitrobenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-2-25-16(22)12-3-7-13(8-4-12)18-17(26)19-15(21)11-5-9-14(10-6-11)20(23)24/h3-10H,2H2,1H3,(H2,18,19,21,26)