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

Systemtic Name: 2-chloranyl-5-[(3-chloranyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-5-[(3-chloro-4-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-5-[[[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-5-[(3-chloro-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H12Cl2N2O4S MolecularWeight: 399.24848

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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)Cl)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Cl

InChI

InChI=1S/C16H12Cl2N2O4S/c1-24-13-5-2-8(6-12(13)18)14(21)20-16(25)19-9-3-4-11(17)10(7-9)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)