2-(6,6-dimethylhepta-2,4-diynylamino)-2-(2,4-dimethylphenyl)sulfanyl-N-pentyl-butanamide

Systemtic Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(2,4-dimethylphenyl)sulfanyl-N-pentyl-butanamide Openeye Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(2,4-dimethylphenyl)sulfanyl-N-pentyl-butanamide CAS Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-[(2,4-dimethylphenyl)thio]-N-pentylbutanamide IUPAC Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(2,4-dimethylphenyl)sulfanyl-N-pentylbutanamide Traditional Name: N-amyl-2-(6,6-dimethylhepta-2,4-diynylamino)-2-[(2,4-dimethylphenyl)thio]butyramide Formula: C26H38N2OS MolecularWeight: 426.65772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=C(C=C(C=C1)C)C

Isomeric SMILES

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=C(C=C(C=C1)C)C

InChI

InChI=1S/C26H38N2OS/c1-8-10-13-18-27-24(29)26(9-2,28-19-14-11-12-17-25(5,6)7)30-23-16-15-21(3)20-22(23)4/h15-16,20,28H,8-10,13,18-19H2,1-7H3,(H,27,29)