2-chloranyl-4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H12ClN3O6S MolecularWeight: 409.80098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O6S/c1-26-13-5-2-8(6-12(13)20(24)25)14(21)19-16(27)18-9-3-4-10(15(22)23)11(17)7-9/h2-7H,1H3,(H,22,23)(H2,18,19,21,27)