3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 3-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 3-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzoate Formula: C15H12N3O5S- MolecularWeight: 346.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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