2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-phenyl-butanethioamide

Systemtic Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-phenyl-butanethioamide Openeye Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-phenyl-butanethioamide CAS Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-phenylbutanethioamide IUPAC Name: 2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-phenylbutanethioamide Traditional Name: N-amyl-2-(6,6-dimethylhepta-2,4-diynylamino)-2-phenyl-thiobutyramide Formula: C24H34N2S MolecularWeight: 382.60516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)C(CC)(C1=CC=CC=C1)NCC#CC#CC(C)(C)C

Isomeric SMILES

CCCCCNC(=S)C(CC)(C1=CC=CC=C1)NCC#CC#CC(C)(C)C

InChI

InChI=1S/C24H34N2S/c1-6-8-14-19-25-22(27)24(7-2,21-16-11-9-12-17-21)26-20-15-10-13-18-23(3,4)5/h9,11-12,16-17,26H,6-8,14,19-20H2,1-5H3,(H,25,27)