2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(2-propan-2-ylphenyl)sulfanyl-butanamide

Systemtic Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(2-propan-2-ylphenyl)sulfanyl-butanamide Openeye Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(2-isopropylphenyl)sulfanyl-N-pentyl-butanamide CAS Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-[(2-propan-2-ylphenyl)thio]butanamide IUPAC Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(2-propan-2-ylphenyl)sulfanylbutanamide Traditional Name: N-amyl-2-(6,6-dimethylhepta-2,4-diynylamino)-2-(o-cumenylthio)butyramide Formula: C27H40N2OS MolecularWeight: 440.6843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC=C1C(C)C

Isomeric SMILES

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC=C1C(C)C

InChI

InChI=1S/C27H40N2OS/c1-8-10-15-20-28-25(30)27(9-2,29-21-16-11-14-19-26(5,6)7)31-24-18-13-12-17-23(24)22(3)4/h12-13,17-18,22,29H,8-10,15,20-21H2,1-7H3,(H,28,30)