iron(3+); N-[2-[2-[2-(oxidanidylcarbothioylamino)phenyl]sulfanylethylsulfanyl]phenyl]carbamothioate; chloride

Systemtic Name: iron(3+); N-[2-[2-[2-(oxidanidylcarbothioylamino)phenyl]sulfanylethylsulfanyl]phenyl]carbamothioate; chloride Openeye Name: ferric N-[2-[2-[2-(oxidocarbothioylamino)phenyl]sulfanylethylsulfanyl]phenyl]carbamothioate chloride CAS Name: iron(3+); N-[2-[2-[[2-[[oxido(sulfanylidene)methyl]amino]phenyl]thio]ethylthio]phenyl]carbamothioate; chloride IUPAC Name: iron(3+); N-[2-[2-[2-(oxidocarbothioylamino)phenyl]sulfanylethylsulfanyl]phenyl]carbamothioate; chloride Traditional Name: ferric N-[2-[2-[[2-(thiocarboxylatoamino)phenyl]thio]ethylthio]phenyl]thiocarbamate chloride Formula: C16H14ClFeN2O2S4 MolecularWeight: 485.85256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)[O-])SCCSC2=CC=CC=C2NC(=S)[O-].[Cl-].[Fe+3]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)[O-])SCCSC2=CC=CC=C2NC(=S)[O-].[Cl-].[Fe+3]

InChI

InChI=1S/C16H16N2O2S4.ClH.Fe/c19-15(21)17-11-5-1-3-7-13(11)23-9-10-24-14-8-4-2-6-12(14)18-16(20)22;;/h1-8H,9-10H2,(H2,17,19,21)(H2,18,20,22);1H;/q;;+3/p-3