2,6-bis(bromanyl)-4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]thiocarbamoylamino]phenolate Formula: C16H12Br2ClN2O3S- MolecularWeight: 507.60408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Br2ClN2O3S/c1-8-4-9(19)2-3-13(8)24-7-14(22)21-16(25)20-10-5-11(17)15(23)12(18)6-10/h2-6,23H,7H2,1H3,(H2,20,21,22,25)/p-1