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

Systemtic Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(4-fluorophenyl)sulfanyl-N-pentyl-butanamide Openeye Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(4-fluorophenyl)sulfanyl-N-pentyl-butanamide CAS Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-[(4-fluorophenyl)thio]-N-pentylbutanamide IUPAC Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-2-(4-fluorophenyl)sulfanyl-N-pentylbutanamide Traditional Name: N-amyl-2-(6,6-dimethylhepta-2,4-diynylamino)-2-[(4-fluorophenyl)thio]butyramide Formula: C24H33FN2OS MolecularWeight: 416.595023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33FN2OS/c1-6-8-11-18-26-22(28)24(7-2,29-21-15-13-20(25)14-16-21)27-19-12-9-10-17-23(3,4)5/h13-16,27H,6-8,11,18-19H2,1-5H3,(H,26,28)