N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-phenanthren-9-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-phenanthren-9-ylsulfanyl-ethanamide Openeye Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-(9-phenanthrylsulfanyl)acetamide CAS Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-(9-phenanthrenylthio)acetamide IUPAC Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-phenanthren-9-ylsulfanylacetamide Traditional Name: N-[2-[amyl(6,6-dimethylhepta-2,4-diynyl)amino]ethyl]-2-(9-phenanthrylthio)acetamide Formula: C32H38N2OS MolecularWeight: 498.72192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCNC(=O)CSC1=CC2=CC=CC=C2C3=CC=CC=C31)CC#CC#CC(C)(C)C

Isomeric SMILES

CCCCCN(CCNC(=O)CSC1=CC2=CC=CC=C2C3=CC=CC=C31)CC#CC#CC(C)(C)C

InChI

InChI=1S/C32H38N2OS/c1-5-6-13-21-34(22-14-7-12-19-32(2,3)4)23-20-33-31(35)25-36-30-24-26-15-8-9-16-27(26)28-17-10-11-18-29(28)30/h8-11,15-18,24H,5-6,13,20-23,25H2,1-4H3,(H,33,35)