N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[2-[amyl(6,6-dimethylhepta-2,4-diynyl)amino]ethyl]-2-(8-quinolylthio)acetamide Formula: C27H35N3OS MolecularWeight: 449.6513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCNC(=O)CSC1=CC=CC2=C1N=CC=C2)CC#CC#CC(C)(C)C

Isomeric SMILES

CCCCCN(CCNC(=O)CSC1=CC=CC2=C1N=CC=C2)CC#CC#CC(C)(C)C

InChI

InChI=1S/C27H35N3OS/c1-5-6-9-19-30(20-10-7-8-16-27(2,3)4)21-18-28-25(31)22-32-24-15-11-13-23-14-12-17-29-26(23)24/h11-15,17H,5-6,9,18-22H2,1-4H3,(H,28,31)