2-[(4-bromophenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(4-bromophenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(4-bromobenzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(4-bromobenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(4-bromobenzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C15H10BrIN2O3S MolecularWeight: 505.12497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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