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

Systemtic Name: 2,6-bis(bromanyl)-4-[(3-methyl-4-nitro-phenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[(3-methyl-4-nitro-benzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(3-methyl-4-nitrobenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(3-methyl-4-nitro-benzoyl)thiocarbamoylamino]phenolate Formula: C15H10Br2N3O4S- MolecularWeight: 488.1306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11Br2N3O4S/c1-7-4-8(2-3-12(7)20(23)24)14(22)19-15(25)18-9-5-10(16)13(21)11(17)6-9/h2-6,21H,1H3,(H2,18,19,22,25)/p-1