N-[2-(6,6-dimethylhepta-2,4-diynylamino)-2-naphthalen-1-ylsulfanyl-butanoyl]pentanamide

Systemtic Name: N-[2-(6,6-dimethylhepta-2,4-diynylamino)-2-naphthalen-1-ylsulfanyl-butanoyl]pentanamide Openeye Name: N-[2-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthylsulfanyl)butanoyl]pentanamide CAS Name: N-[2-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthalenylthio)-1-oxobutyl]pentanamide IUPAC Name: N-[2-(6,6-dimethylhepta-2,4-diynylamino)-2-naphthalen-1-ylsulfanylbutanoyl]pentanamide Traditional Name: N-[2-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthylthio)butanoyl]valeramide Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCC(=O)NC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C28H34N2O2S/c1-6-8-19-25(31)30-26(32)28(7-2,29-21-13-9-12-20-27(3,4)5)33-24-18-14-16-22-15-10-11-17-23(22)24/h10-11,14-18,29H,6-8,19,21H2,1-5H3,(H,30,31,32)