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

Systemtic Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]-2-(3-thiophen-3-ylphenyl)ethanethioamide Openeye Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]-2-[3-(3-thienyl)phenyl]thioacetamide CAS Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl]-2-[3-(3-thiophenyl)phenyl]ethanethioamide IUPAC Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl]-2-(3-thiophen-3-ylphenyl)ethanethioamide Traditional Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]-2-[3-(3-thienyl)phenyl]thioacetamide Formula: C25H32N2S2 MolecularWeight: 424.66498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=S)CC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

CCN(CCNC(=S)CC1=CC=CC(=C1)C2=CSC=C2)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C25H32N2S2/c1-5-27(15-8-6-7-13-25(2,3)4)16-14-26-24(28)19-21-10-9-11-22(18-21)23-12-17-29-20-23/h6,8-12,17-18,20H,5,14-16,19H2,1-4H3,(H,26,28)/b8-6+