2-[4-(8-oxidanyloctyl)phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-(8-oxidanyloctyl)phenyl]benzenecarbothioamide Openeye Name: 2-[4-(8-hydroxyoctyl)phenyl]benzenecarbothioamide CAS Name: 2-[4-(8-hydroxyoctyl)phenyl]benzenecarbothioamide IUPAC Name: 2-[4-(8-hydroxyoctyl)phenyl]benzenecarbothioamide Traditional Name: 2-[4-(8-hydroxyoctyl)phenyl]thiobenzamide Formula: C21H27NOS MolecularWeight: 341.51018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCCCCCCCO)C(=S)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCCCCCCCO)C(=S)N

InChI

InChI=1S/C21H27NOS/c22-21(24)20-11-7-6-10-19(20)18-14-12-17(13-15-18)9-5-3-1-2-4-8-16-23/h6-7,10-15,23H,1-5,8-9,16H2,(H2,22,24)