2,6-bis(bromanyl)-4-[2-(3,5-dimethylphenoxy)ethanoylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[2-(3,5-dimethylphenoxy)ethanoylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[[2-(3,5-dimethylphenoxy)acetyl]thiocarbamoylamino]phenolate Formula: C17H15Br2N2O3S- MolecularWeight: 487.1856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br)C

InChI

InChI=1S/C17H16Br2N2O3S/c1-9-3-10(2)5-12(4-9)24-8-15(22)21-17(25)20-11-6-13(18)16(23)14(19)7-11/h3-7,23H,8H2,1-2H3,(H2,20,21,22,25)/p-1