2,6-bis(bromanyl)-4-(3-methylbutanoylcarbamothioylamino)phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-(3-methylbutanoylcarbamothioylamino)phenolate Openeye Name: 2,6-dibromo-4-(3-methylbutanoylcarbamothioylamino)phenolate CAS Name: 2,6-dibromo-4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-(3-methylbutanoylcarbamothioylamino)phenolate Traditional Name: 2,6-dibromo-4-(isovalerylthiocarbamoylamino)phenolate Formula: C12H13Br2N2O2S- MolecularWeight: 409.11682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC(=C(C(=C1)Br)[O-])Br

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC(=C(C(=C1)Br)[O-])Br

InChI

InChI=1S/C12H14Br2N2O2S/c1-6(2)3-10(17)16-12(19)15-7-4-8(13)11(18)9(14)5-7/h4-6,18H,3H2,1-2H3,(H2,15,16,17,19)/p-1