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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC=CC#CC(C)(C)C)SC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCNC(=O)C(CC)(NC/C=C/C#CC(C)(C)C)SC1=CC2=CC=CC=C2C=C1

InChI

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