2,6-bis(bromanyl)-4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]phenolate Formula: C15H10Br2N3O5S- MolecularWeight: 504.13

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11Br2N3O5S/c1-25-12-3-2-7(4-11(12)20(23)24)14(22)19-15(26)18-8-5-9(16)13(21)10(17)6-8/h2-6,21H,1H3,(H2,18,19,22,26)/p-1