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

Systemtic Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentyl-amino]ethyl]-2-naphthalen-1-ylsulfanyl-ethanamide Openeye Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentyl-amino]ethyl]-2-(1-naphthylsulfanyl)acetamide CAS Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentylamino]ethyl]-2-(1-naphthalenylthio)acetamide IUPAC Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentylamino]ethyl]-2-naphthalen-1-ylsulfanylacetamide Traditional Name: N-[2-[amyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]ethyl]-2-(1-naphthylthio)acetamide Formula: C28H38N2OS MolecularWeight: 450.67912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2OS/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/h7-9,12-17H,5-6,11,19-23H2,1-4H3,(H,29,31)/b12-7+