2-[4-bromanyl-2-[(4-bromophenyl)methyl-fluoranyl-carbamothioyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[(4-bromophenyl)methyl-fluoranyl-carbamothioyl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[(4-bromophenyl)methyl-fluoro-carbamothioyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[(4-bromophenyl)methyl-fluoroamino]-sulfanylidenemethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[(4-bromophenyl)methyl-fluorocarbamothioyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[(4-bromobenzyl)-fluoro-thiocarbamoyl]phenoxy]acetic acid Formula: C16H12Br2FNO3S MolecularWeight: 477.142783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C(=S)C2=C(C=CC(=C2)Br)OCC(=O)O)F)Br

Isomeric SMILES

C1=CC(=CC=C1CN(C(=S)C2=C(C=CC(=C2)Br)OCC(=O)O)F)Br

InChI

InChI=1S/C16H12Br2FNO3S/c17-11-3-1-10(2-4-11)8-20(19)16(24)13-7-12(18)5-6-14(13)23-9-15(21)22/h1-7H,8-9H2,(H,21,22)