5-chloranyl-2-[(4-iodophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[(4-iodophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-chloro-2-[(4-iodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-chloro-2-[[[[(4-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[(4-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-chloro-2-[(4-iodobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10ClIN2O3S MolecularWeight: 460.67397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O)I

InChI

InChI=1S/C15H10ClIN2O3S/c16-9-3-6-12(11(7-9)14(21)22)18-15(23)19-13(20)8-1-4-10(17)5-2-8/h1-7H,(H,21,22)(H2,18,19,20,23)