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

Systemtic Name: 2,6-bis(bromanyl)-4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dibromo-4-[(3-nitrobenzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dibromo-4-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dibromo-4-[(3-nitrobenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dibromo-4-[(3-nitrobenzoyl)thiocarbamoylamino]phenolate Formula: C14H8Br2N3O4S- MolecularWeight: 474.10402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9Br2N3O4S/c15-10-5-8(6-11(16)12(10)20)17-14(24)18-13(21)7-2-1-3-9(4-7)19(22)23/h1-6,20H,(H2,17,18,21,24)/p-1