4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoic acid Openeye Name: 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoic acid CAS Name: 4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzoic acid Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5S/c1-23-13-8-11(18(21)22)6-7-12(13)17-15(24)16-10-4-2-9(3-5-10)14(19)20/h2-8H,1H3,(H,19,20)(H2,16,17,24)