4-chloranyl-3-[(4-iodophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(4-iodophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(4-iodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(4-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(4-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(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=CC(=C2)C(=O)O)Cl)I

Isomeric SMILES

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

InChI

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