4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-sulfanylphenyl)butanamide

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-sulfanylphenyl)butanamide Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(2-sulfanylphenyl)butanamide CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-mercaptophenyl)butanamide IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-sulfanylphenyl)butanamide Traditional Name: 4-(2,4-ditert-amylphenoxy)-N-(2-mercaptophenyl)butyramide Formula: C26H37NO2S MolecularWeight: 427.64248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC=C2S)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC=C2S)C(C)(C)CC

InChI

InChI=1S/C26H37NO2S/c1-7-25(3,4)19-15-16-22(20(18-19)26(5,6)8-2)29-17-11-14-24(28)27-21-12-9-10-13-23(21)30/h9-10,12-13,15-16,18,30H,7-8,11,14,17H2,1-6H3,(H,27,28)