3-[[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[[2-[(4-bromophenyl)methoxy]phenyl]methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[[2-(4-bromobenzyl)oxybenzylidene]amino]thiocarbamoylamino]benzoic acid Formula: C22H18BrN3O3S MolecularWeight: 484.36562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H18BrN3O3S/c23-18-10-8-15(9-11-18)14-29-20-7-2-1-4-17(20)13-24-26-22(30)25-19-6-3-5-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)