3-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoate Formula: C17H14N3O6S- MolecularWeight: 388.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-])[N+](=O)[O-]

InChI

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