N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-naphthalen-1-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-naphthalen-1-ylsulfanyl-ethanamide Openeye Name: N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-(1-naphthylsulfanyl)acetamide CAS Name: N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-(1-naphthalenylthio)acetamide IUPAC Name: N-[2-[6,6-dimethylhept-4-ynyl(pentyl)amino]ethyl]-2-naphthalen-1-ylsulfanylacetamide Traditional Name: N-[2-[amyl(6,6-dimethylhept-4-ynyl)amino]ethyl]-2-(1-naphthylthio)acetamide Formula: C28H40N2OS MolecularWeight: 452.695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCC#CC(C)(C)C)CCNC(=O)CSC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCCN(CCCC#CC(C)(C)C)CCNC(=O)CSC1=CC=CC2=CC=CC=C21

InChI

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