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

Systemtic Name: N-[2-[[(E)-6,6-dimethyloct-2-en-4-ynyl]-pentyl-amino]ethyl]-2-naphthalen-1-ylsulfanyl-ethanamide Openeye Name: N-[2-[[(E)-6,6-dimethyloct-2-en-4-ynyl]-pentyl-amino]ethyl]-2-(1-naphthylsulfanyl)acetamide CAS Name: N-[2-[[(E)-6,6-dimethyloct-2-en-4-ynyl]-pentylamino]ethyl]-2-(1-naphthalenylthio)acetamide IUPAC Name: N-[2-[[(E)-6,6-dimethyloct-2-en-4-ynyl]-pentylamino]ethyl]-2-naphthalen-1-ylsulfanylacetamide Traditional Name: N-[2-[amyl-[(E)-6,6-dimethyloct-2-en-4-ynyl]amino]ethyl]-2-(1-naphthylthio)acetamide Formula: C29H40N2OS MolecularWeight: 464.7057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2OS/c1-5-7-12-21-31(22-13-8-11-19-29(3,4)6-2)23-20-30-28(32)24-33-27-18-14-16-25-15-9-10-17-26(25)27/h8-10,13-18H,5-7,12,20-24H2,1-4H3,(H,30,32)/b13-8+