S-[4-(phenylcarbonylsulfanyl)butyl] benzenecarbothioate

Systemtic Name: S-[4-(phenylcarbonylsulfanyl)butyl] benzenecarbothioate Openeye Name: S-(4-benzoylsulfanylbutyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-(benzoylthio)butyl] ester IUPAC Name: S-(4-benzoylsulfanylbutyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[4-(benzoylthio)butyl] ester Formula: C18H18O2S2 MolecularWeight: 330.46432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCCCSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCCCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O2S2/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2