4-(6,6-dimethylhepta-2,4-diynylamino)-2-naphthalen-1-ylsulfanyl-butanamide

Systemtic Name: 4-(6,6-dimethylhepta-2,4-diynylamino)-2-naphthalen-1-ylsulfanyl-butanamide Openeye Name: 4-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthylsulfanyl)butanamide CAS Name: 4-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthalenylthio)butanamide IUPAC Name: 4-(6,6-dimethylhepta-2,4-diynylamino)-2-naphthalen-1-ylsulfanylbutanamide Traditional Name: 4-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthylthio)butyramide Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC#CCNCCC(C(=O)N)SC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)C#CC#CCNCCC(C(=O)N)SC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C23H26N2OS/c1-23(2,3)15-7-4-8-16-25-17-14-21(22(24)26)27-20-13-9-11-18-10-5-6-12-19(18)20/h5-6,9-13,21,25H,14,16-17H2,1-3H3,(H2,24,26)