6-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide

Systemtic Name: 6-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide Openeye Name: 6-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-diisopropylphenyl)hexanamide CAS Name: 6-[(7-tert-butyl-1,3-benzoxazol-2-yl)thio]-N-[2,6-di(propan-2-yl)phenyl]hexanamide IUPAC Name: 6-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide Traditional Name: 6-[(7-tert-butyl-1,3-benzoxazol-2-yl)thio]-N-(2,6-diisopropylphenyl)hexanamide Formula: C29H40N2O2S MolecularWeight: 480.7051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCSC2=NC3=CC=CC(=C3O2)C(C)(C)C

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCSC2=NC3=CC=CC(=C3O2)C(C)(C)C

InChI

InChI=1S/C29H40N2O2S/c1-19(2)21-13-11-14-22(20(3)4)26(21)31-25(32)17-9-8-10-18-34-28-30-24-16-12-15-23(27(24)33-28)29(5,6)7/h11-16,19-20H,8-10,17-18H2,1-7H3,(H,31,32)