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2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-quinolin-3-ylsulfanyl-butanamide

2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-quinolin-3-ylsulfanyl-butanamide

Systemtic Name:2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-quinolin-3-ylsulfanyl-butanamide
Openeye Name:2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(3-quinolylsulfanyl)butanamide
CAS Name:2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(3-quinolinylthio)butanamide
IUPAC Name:2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-quinolin-3-ylsulfanylbutanamide
Traditional Name:N-amyl-2-(6,6-dimethylhepta-2,4-diynylamino)-2-(3-quinolylthio)butyramide
Formula: C27H35N3OS
MolecularWeight: 449.6513
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC2=CC=CC=C2N=C1


Isomeric SMILES

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC2=CC=CC=C2N=C1


InChI

InChI=1S/C27H35N3OS/c1-6-8-13-18-28-25(31)27(7-2,30-19-14-9-12-17-26(3,4)5)32-23-20-22-15-10-11-16-24(22)29-21-23/h10-11,15-16,20-21,30H,6-8,13,18-19H2,1-5H3,(H,28,31)


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