4-methoxy-3-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-methoxy-3-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-methoxy-3-[(2-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-methoxy-3-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methoxy-3-[(2-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-methoxy-3-[(2-nitrobenzoyl)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)[O-])NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

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