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

Systemtic Name: 3-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-chloro-5-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10ClIN2O3S MolecularWeight: 460.67397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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