N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-naphthalen-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-(2-naphthylsulfanyl)acetamide CAS Name: N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-(2-naphthalenylthio)acetamide IUPAC Name: N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-[2-[amyl(6,6-dimethylhept-4-ynyl)amino]ethyl]-2-(2-naphthylthio)acetamide Formula: C28H40N2OS MolecularWeight: 452.695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCC#CC(C)(C)C)CCNC(=O)CSC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCN(CCCC#CC(C)(C)C)CCNC(=O)CSC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C28H40N2OS/c1-5-6-11-19-30(20-12-7-10-17-28(2,3)4)21-18-29-27(31)23-32-26-16-15-24-13-8-9-14-25(24)22-26/h8-9,13-16,22H,5-7,11-12,18-21,23H2,1-4H3,(H,29,31)