N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentyl-amino]ethyl]-2-(3-thiophen-3-ylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentyl-amino]ethyl]-2-(3-thiophen-3-ylphenyl)sulfanyl-ethanamide Openeye Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentyl-amino]ethyl]-2-[3-(3-thienyl)phenyl]sulfanyl-acetamide CAS Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentylamino]ethyl]-2-[[3-(3-thiophenyl)phenyl]thio]acetamide IUPAC Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-pentylamino]ethyl]-2-(3-thiophen-3-ylphenyl)sulfanylacetamide Traditional Name: N-[2-[amyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]ethyl]-2-[[3-(3-thienyl)phenyl]thio]acetamide Formula: C28H38N2OS2 MolecularWeight: 482.74412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCNC(=O)CSC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

CCCCCN(CCNC(=O)CSC1=CC=CC(=C1)C2=CSC=C2)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C28H38N2OS2/c1-5-6-9-17-30(18-10-7-8-15-28(2,3)4)19-16-29-27(31)23-33-26-13-11-12-24(21-26)25-14-20-32-22-25/h7,10-14,20-22H,5-6,9,16-19,23H2,1-4H3,(H,29,31)/b10-7+