2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-2-naphthalen-1-ylsulfanyl-N-pentyl-butanamide

Systemtic Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-2-naphthalen-1-ylsulfanyl-N-pentyl-butanamide Openeye Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-2-(1-naphthylsulfanyl)-N-pentyl-butanamide CAS Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-2-(1-naphthalenylthio)-N-pentylbutanamide IUPAC Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-2-naphthalen-1-ylsulfanyl-N-pentylbutanamide Traditional Name: N-amyl-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-2-(1-naphthylthio)butyramide Formula: C28H38N2OS MolecularWeight: 450.67912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC=CC#CC(C)(C)C)SC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCCNC(=O)C(CC)(NC/C=C/C#CC(C)(C)C)SC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C28H38N2OS/c1-6-8-13-21-29-26(31)28(7-2,30-22-14-9-12-20-27(3,4)5)32-25-19-15-17-23-16-10-11-18-24(23)25/h9-11,14-19,30H,6-8,13,21-22H2,1-5H3,(H,29,31)/b14-9+