4-[(2-bromanyl-5-nitro-phenyl)carbonylcarbamothioylamino]-2,6-bis(chloranyl)phenolate

Systemtic Name: 4-[(2-bromanyl-5-nitro-phenyl)carbonylcarbamothioylamino]-2,6-bis(chloranyl)phenolate Openeye Name: 4-[(2-bromo-5-nitro-benzoyl)carbamothioylamino]-2,6-dichloro-phenolate CAS Name: 4-[[[[(2-bromo-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2,6-dichlorophenolate IUPAC Name: 4-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]-2,6-dichlorophenolate Traditional Name: 4-[(2-bromo-5-nitro-benzoyl)thiocarbamoylamino]-2,6-dichloro-phenolate Formula: C14H7BrCl2N3O4S- MolecularWeight: 464.09808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8BrCl2N3O4S/c15-9-2-1-7(20(23)24)5-8(9)13(22)19-14(25)18-6-3-10(16)12(21)11(17)4-6/h1-5,21H,(H2,18,19,22,25)/p-1