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

Systemtic Name: 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C14H8BrClN3O4S- MolecularWeight: 429.65302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrClN3O4S/c15-7-1-3-10(16)9(5-7)13(21)18-14(24)17-11-6-8(19(22)23)2-4-12(11)20/h1-6,20H,(H2,17,18,21,24)/p-1