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

Systemtic Name: 5-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[(3,5-dichloro-4-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-5-[[[[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-5-[(3,5-dichloro-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H11Cl3N2O4S MolecularWeight: 433.69354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Cl

InChI

InChI=1S/C16H11Cl3N2O4S/c1-25-13-11(18)4-7(5-12(13)19)14(22)21-16(26)20-8-2-3-10(17)9(6-8)15(23)24/h2-6H,1H3,(H,23,24)(H2,20,21,22,26)