2,6-bis(bromanyl)-4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[(3,4-dimethylbenzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(3,4-dimethylbenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(3,4-dimethylbenzoyl)thiocarbamoylamino]phenolate Formula: C16H13Br2N2O2S- MolecularWeight: 457.15962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Br2N2O2S/c1-8-3-4-10(5-9(8)2)15(22)20-16(23)19-11-6-12(17)14(21)13(18)7-11/h3-7,21H,1-2H3,(H2,19,20,22,23)/p-1