2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c1-2-26-14-8-7-10(9-13(14)20(24)25)15(21)19-17(27)18-12-6-4-3-5-11(12)16(22)23/h3-9H,2H2,1H3,(H,22,23)(H2,18,19,21,27)