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

Systemtic Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-heptyl-amino]ethyl]-2-(3-thiophen-3-ylphenyl)sulfanyl-ethanamide Openeye Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-heptyl-amino]ethyl]-2-[3-(3-thienyl)phenyl]sulfanyl-acetamide CAS Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-heptylamino]ethyl]-2-[[3-(3-thiophenyl)phenyl]thio]acetamide IUPAC Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-heptylamino]ethyl]-2-(3-thiophen-3-ylphenyl)sulfanylacetamide Traditional Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-heptyl-amino]ethyl]-2-[[3-(3-thienyl)phenyl]thio]acetamide Formula: C30H42N2OS2 MolecularWeight: 510.79728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N2OS2/c1-5-6-7-8-11-19-32(20-12-9-10-17-30(2,3)4)21-18-31-29(33)25-35-28-15-13-14-26(23-28)27-16-22-34-24-27/h9,12-16,22-24H,5-8,11,18-21,25H2,1-4H3,(H,31,33)/b12-9+