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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2OS/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/h7-9,12-16,22H,5-6,11,18-21,23H2,1-4H3,(H,29,31)/b12-7+