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

Systemtic Name: 2,6-bis(bromanyl)-4-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]phenolate Formula: C19H19Br2N2O3S- MolecularWeight: 515.23876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Br2N2O3S/c1-19(2,3)11-4-6-13(7-5-11)26-10-16(24)23-18(27)22-12-8-14(20)17(25)15(21)9-12/h4-9,25H,10H2,1-3H3,(H2,22,23,24,27)/p-1