2-(6,6-dimethylhept-4-ynylamino)-2-naphthalen-1-ylsulfanyl-N-pentyl-butanamide

Systemtic Name: 2-(6,6-dimethylhept-4-ynylamino)-2-naphthalen-1-ylsulfanyl-N-pentyl-butanamide Openeye Name: 2-(6,6-dimethylhept-4-ynylamino)-2-(1-naphthylsulfanyl)-N-pentyl-butanamide CAS Name: 2-(6,6-dimethylhept-4-ynylamino)-2-(1-naphthalenylthio)-N-pentylbutanamide IUPAC Name: 2-(6,6-dimethylhept-4-ynylamino)-2-naphthalen-1-ylsulfanyl-N-pentylbutanamide Traditional Name: N-amyl-2-(6,6-dimethylhept-4-ynylamino)-2-(1-naphthylthio)butyramide Formula: C28H40N2OS MolecularWeight: 452.695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2OS/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/h10-11,15-19,30H,6-9,13-14,21-22H2,1-5H3,(H,29,31)