N-(6,6-dimethylhepta-2,4-diynyl)-N-[2-(2-naphthalen-1-ylsulfanylethanoylamino)ethyl]pentanamide

Systemtic Name: N-(6,6-dimethylhepta-2,4-diynyl)-N-[2-(2-naphthalen-1-ylsulfanylethanoylamino)ethyl]pentanamide Openeye Name: N-(6,6-dimethylhepta-2,4-diynyl)-N-[2-[[2-(1-naphthylsulfanyl)acetyl]amino]ethyl]pentanamide CAS Name: N-(6,6-dimethylhepta-2,4-diynyl)-N-[2-[[2-(1-naphthalenylthio)-1-oxoethyl]amino]ethyl]pentanamide IUPAC Name: N-(6,6-dimethylhepta-2,4-diynyl)-N-[2-[(2-naphthalen-1-ylsulfanylacetyl)amino]ethyl]pentanamide Traditional Name: N-(6,6-dimethylhepta-2,4-diynyl)-N-[2-[[2-(1-naphthylthio)acetyl]amino]ethyl]valeramide Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCNC(=O)CSC1=CC=CC2=CC=CC=C21)CC#CC#CC(C)(C)C

Isomeric SMILES

CCCCC(=O)N(CCNC(=O)CSC1=CC=CC2=CC=CC=C21)CC#CC#CC(C)(C)C

InChI

InChI=1S/C28H34N2O2S/c1-5-6-17-27(32)30(20-11-7-10-18-28(2,3)4)21-19-29-26(31)22-33-25-16-12-14-23-13-8-9-15-24(23)25/h8-9,12-16H,5-6,17,19-22H2,1-4H3,(H,29,31)