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

Systemtic Name: 5-chloranyl-2-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-chloro-2-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 5-chloro-2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-chloro-2-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H12ClN3O6S MolecularWeight: 409.80098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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