2,6-bis(bromanyl)-4-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]phenolate Formula: C16H13Br2N2O3S- MolecularWeight: 473.15902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

InChI

InChI=1S/C16H14Br2N2O3S/c1-9-4-2-3-5-13(9)23-8-14(21)20-16(24)19-10-6-11(17)15(22)12(18)7-10/h2-7,22H,8H2,1H3,(H2,19,20,21,24)/p-1