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

Systemtic Name: 2,6-bis(bromanyl)-4-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[[2-(4-isopropylphenoxy)acetyl]carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[[2-(4-isopropylphenoxy)acetyl]thiocarbamoylamino]phenolate Formula: C18H17Br2N2O3S- MolecularWeight: 501.21218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Br2N2O3S/c1-10(2)11-3-5-13(6-4-11)25-9-16(23)22-18(26)21-12-7-14(19)17(24)15(20)8-12/h3-8,10,24H,9H2,1-2H3,(H2,21,22,23,26)/p-1