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

Systemtic Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-naphthalen-1-ylsulfanyl-N-propyl-butanamide Openeye Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthylsulfanyl)-N-propyl-butanamide CAS Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthalenylthio)-N-propylbutanamide IUPAC Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-naphthalen-1-ylsulfanyl-N-propylbutanamide Traditional Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(1-naphthylthio)-N-propyl-butyramide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C26H32N2OS/c1-6-19-27-24(29)26(7-2,28-20-12-8-11-18-25(3,4)5)30-23-17-13-15-21-14-9-10-16-22(21)23/h9-10,13-17,28H,6-7,19-20H2,1-5H3,(H,27,29)