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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN(CCNC(=O)CSC1=CC=CC2=CC=CC=C21)CC#CC#CC(C)(C)C

Isomeric SMILES

CC(C)CCCN(CCNC(=O)CSC1=CC=CC2=CC=CC=C21)CC#CC#CC(C)(C)C

InChI

InChI=1S/C29H38N2OS/c1-24(2)13-12-21-31(20-10-6-9-18-29(3,4)5)22-19-30-28(32)23-33-27-17-11-15-25-14-7-8-16-26(25)27/h7-8,11,14-17,24H,12-13,19-23H2,1-5H3,(H,30,32)