N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-N-methyl-2-naphthalen-1-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-N-methyl-2-naphthalen-1-ylsulfanyl-ethanamide Openeye Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-N-methyl-2-(1-naphthylsulfanyl)acetamide CAS Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-N-methyl-2-(1-naphthalenylthio)acetamide IUPAC Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-N-methyl-2-naphthalen-1-ylsulfanylacetamide Traditional Name: N-[2-[amyl(6,6-dimethylhepta-2,4-diynyl)amino]ethyl]-N-methyl-2-(1-naphthylthio)acetamide Formula: C29H38N2OS MolecularWeight: 462.68982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCN(C)C(=O)CSC1=CC=CC2=CC=CC=C21)CC#CC#CC(C)(C)C

Isomeric SMILES

CCCCCN(CCN(C)C(=O)CSC1=CC=CC2=CC=CC=C21)CC#CC#CC(C)(C)C

InChI

InChI=1S/C29H38N2OS/c1-6-7-12-20-31(21-13-8-11-19-29(2,3)4)23-22-30(5)28(32)24-33-27-18-14-16-25-15-9-10-17-26(25)27/h9-10,14-18H,6-7,12,20-24H2,1-5H3