5-bromanyl-2-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(3-iodobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10BrIN2O3S MolecularWeight: 505.12497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrIN2O3S/c16-9-4-5-12(11(7-9)14(21)22)18-15(23)19-13(20)8-2-1-3-10(17)6-8/h1-7H,(H,21,22)(H2,18,19,20,23)