2-[(3-bromophenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[(3-bromophenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3-bromobenzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3-bromobenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3-bromobenzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C15H9BrI2N2O3S MolecularWeight: 631.0215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C15H9BrI2N2O3S/c16-8-3-1-2-7(4-8)13(21)20-15(24)19-12-10(14(22)23)5-9(17)6-11(12)18/h1-6H,(H,22,23)(H2,19,20,21,24)