ethyl 4-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

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