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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoate Formula: C16H12N3O6S- MolecularWeight: 374.34798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c1-25-13-6-5-9(8-12(13)19(23)24)14(20)18-16(26)17-11-4-2-3-10(7-11)15(21)22/h2-8H,1H3,(H,21,22)(H2,17,18,20,26)/p-1