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

Systemtic Name: 3-chloranyl-5-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-chloro-5-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-chloro-5-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-chloro-5-[(2-chloro-5-iodobenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-chloro-5-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C16H11Cl2IN2O4S MolecularWeight: 525.14501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl2IN2O4S/c1-25-13-11(18)4-7(15(23)24)5-12(13)20-16(26)21-14(22)9-6-8(19)2-3-10(9)17/h2-6H,1H3,(H,23,24)(H2,20,21,22,26)