2,6-bis(bromanyl)-4-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[(2,6-dimethoxybenzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(2,6-dimethoxybenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(2,6-dimethoxybenzoyl)thiocarbamoylamino]phenolate Formula: C16H13Br2N2O4S- MolecularWeight: 489.15842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)[O-])Br

InChI

InChI=1S/C16H14Br2N2O4S/c1-23-11-4-3-5-12(24-2)13(11)15(22)20-16(25)19-8-6-9(17)14(21)10(18)7-8/h3-7,21H,1-2H3,(H2,19,20,22,25)/p-1