N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-quinolin-3-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-quinolin-3-ylsulfanyl-ethanamide Openeye Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-(3-quinolylsulfanyl)acetamide CAS Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-(3-quinolinylthio)acetamide IUPAC Name: N-[2-[6,6-dimethylhepta-2,4-diynyl(pentyl)amino]ethyl]-2-quinolin-3-ylsulfanylacetamide Traditional Name: N-[2-[amyl(6,6-dimethylhepta-2,4-diynyl)amino]ethyl]-2-(3-quinolylthio)acetamide Formula: C27H35N3OS MolecularWeight: 449.6513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCNC(=O)CSC1=CC2=CC=CC=C2N=C1)CC#CC#CC(C)(C)C

Isomeric SMILES

CCCCCN(CCNC(=O)CSC1=CC2=CC=CC=C2N=C1)CC#CC#CC(C)(C)C

InChI

InChI=1S/C27H35N3OS/c1-5-6-11-17-30(18-12-7-10-15-27(2,3)4)19-16-28-26(31)22-32-24-20-23-13-8-9-14-25(23)29-21-24/h8-9,13-14,20-21H,5-6,11,16-19,22H2,1-4H3,(H,28,31)