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

Systemtic Name: 4-chloranyl-3-[(5-chloranyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(5-chloro-2-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(5-chloro-2-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(5-chloro-2-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)Cl)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

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

InChI

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