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

Systemtic Name: 3-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(2-chloro-5-iodobenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C16H12ClIN2O4S MolecularWeight: 490.69995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClIN2O4S/c1-24-13-5-2-8(15(22)23)6-12(13)19-16(25)20-14(21)10-7-9(18)3-4-11(10)17/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)