2-anthracen-9-ylsulfanyl-N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]ethanamide

Systemtic Name: 2-anthracen-9-ylsulfanyl-N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]ethanamide Openeye Name: 2-(9-anthrylsulfanyl)-N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]acetamide CAS Name: 2-(9-anthracenylthio)-N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]acetamide IUPAC Name: 2-anthracen-9-ylsulfanyl-N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]acetamide Traditional Name: N-[2-[amyl(6,6-dimethylhepta-2,4-diynyl)amino]ethyl]-2-(9-anthrylthio)acetamide Formula: C32H38N2OS MolecularWeight: 498.72192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCNC(=O)CSC1=C2C=CC=CC2=CC3=CC=CC=C31)CC#CC#CC(C)(C)C

Isomeric SMILES

CCCCCN(CCNC(=O)CSC1=C2C=CC=CC2=CC3=CC=CC=C31)CC#CC#CC(C)(C)C

InChI

InChI=1S/C32H38N2OS/c1-5-6-13-21-34(22-14-7-12-19-32(2,3)4)23-20-33-30(35)25-36-31-28-17-10-8-15-26(28)24-27-16-9-11-18-29(27)31/h8-11,15-18,24H,5-6,13,20-23,25H2,1-4H3,(H,33,35)