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

Systemtic Name: 2-(2-bromophenyl)sulfanyl-N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]ethanamide Openeye Name: 2-(2-bromophenyl)sulfanyl-N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]acetamide CAS Name: 2-[(2-bromophenyl)thio]-N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl]acetamide IUPAC Name: 2-(2-bromophenyl)sulfanyl-N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl]acetamide Traditional Name: 2-[(2-bromophenyl)thio]-N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]acetamide Formula: C21H29BrN2OS MolecularWeight: 437.43676

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)CSC1=CC=CC=C1Br)CC=CC#CC(C)(C)C

Isomeric SMILES

CCN(CCNC(=O)CSC1=CC=CC=C1Br)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C21H29BrN2OS/c1-5-24(15-10-6-9-13-21(2,3)4)16-14-23-20(25)17-26-19-12-8-7-11-18(19)22/h6-8,10-12H,5,14-17H2,1-4H3,(H,23,25)/b10-6+