2,6-bis(bromanyl)-4-(2-phenoxyethanoylcarbamothioylamino)phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-(2-phenoxyethanoylcarbamothioylamino)phenolate Openeye Name: 2,6-dibromo-4-[(2-phenoxyacetyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(2-phenoxyacetyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(2-phenoxyacetyl)thiocarbamoylamino]phenolate Formula: C15H11Br2N2O3S- MolecularWeight: 459.13244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

InChI

InChI=1S/C15H12Br2N2O3S/c16-11-6-9(7-12(17)14(11)21)18-15(23)19-13(20)8-22-10-4-2-1-3-5-10/h1-7,21H,8H2,(H2,18,19,20,23)/p-1