2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-phenanthren-9-ylsulfanyl-butanamide

Systemtic Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-phenanthren-9-ylsulfanyl-butanamide Openeye Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(9-phenanthrylsulfanyl)butanamide CAS Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-(9-phenanthrenylthio)butanamide IUPAC Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-phenanthren-9-ylsulfanylbutanamide Traditional Name: N-amyl-2-(6,6-dimethylhepta-2,4-diynylamino)-2-(9-phenanthrylthio)butyramide Formula: C32H38N2OS MolecularWeight: 498.72192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC2=CC=CC=C2C3=CC=CC=C31

Isomeric SMILES

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC2=CC=CC=C2C3=CC=CC=C31

InChI

InChI=1S/C32H38N2OS/c1-6-8-15-22-33-30(35)32(7-2,34-23-16-9-14-21-31(3,4)5)36-29-24-25-17-10-11-18-26(25)27-19-12-13-20-28(27)29/h10-13,17-20,24,34H,6-8,15,22-23H2,1-5H3,(H,33,35)