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

Systemtic Name: 3-[[3,5-bis(chloranyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[(3,5-dichloro-2-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(3,5-dichloro-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(3,5-dichloro-2-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=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl)Cl

InChI

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