2-(6,6-dimethylhepta-2,4-diynylamino)-2-(4-methylnaphthalen-1-yl)sulfanyl-N-pentyl-butanamide

Systemtic Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(4-methylnaphthalen-1-yl)sulfanyl-N-pentyl-butanamide Openeye Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-[(4-methyl-1-naphthyl)sulfanyl]-N-pentyl-butanamide CAS Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-[(4-methyl-1-naphthalenyl)thio]-N-pentylbutanamide IUPAC Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(4-methylnaphthalen-1-yl)sulfanyl-N-pentylbutanamide Traditional Name: N-amyl-2-(6,6-dimethylhepta-2,4-diynylamino)-2-[(4-methyl-1-naphthyl)thio]butyramide Formula: C29H38N2OS MolecularWeight: 462.68982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=C(C2=CC=CC=C21)C

Isomeric SMILES

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=C(C2=CC=CC=C21)C

InChI

InChI=1S/C29H38N2OS/c1-7-9-14-21-30-27(32)29(8-2,31-22-15-10-13-20-28(4,5)6)33-26-19-18-23(3)24-16-11-12-17-25(24)26/h11-12,16-19,31H,7-9,14,21-22H2,1-6H3,(H,30,32)