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

Systemtic Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]ethyl]-2-(3-thiophen-3-ylphenyl)sulfanyl-ethanamide Openeye Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]ethyl]-2-[3-(3-thienyl)phenyl]sulfanyl-acetamide CAS Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]ethyl]-2-[[3-(3-thiophenyl)phenyl]thio]acetamide IUPAC Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]ethyl]-2-(3-thiophen-3-ylphenyl)sulfanylacetamide Traditional Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]ethyl]-2-[[3-(3-thienyl)phenyl]thio]acetamide Formula: C23H28N2OS2 MolecularWeight: 412.61122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCNCCNC(=O)CSC1=CC=CC(=C1)C2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2OS2/c1-23(2,3)11-5-4-6-12-24-13-14-25-22(26)18-28-21-9-7-8-19(16-21)20-10-15-27-17-20/h4,6-10,15-17,24H,12-14,18H2,1-3H3,(H,25,26)/b6-4+