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

Systemtic Name: 6-[(7-cyano-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide Openeye Name: 6-[(7-cyano-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-diisopropylphenyl)hexanamide CAS Name: 6-[(7-cyano-1,3-benzoxazol-2-yl)thio]-N-[2,6-di(propan-2-yl)phenyl]hexanamide IUPAC Name: 6-[(7-cyano-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide Traditional Name: 6-[(7-cyano-1,3-benzoxazol-2-yl)thio]-N-(2,6-diisopropylphenyl)hexanamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2S/c1-17(2)20-11-9-12-21(18(3)4)24(20)29-23(30)14-6-5-7-15-32-26-28-22-13-8-10-19(16-27)25(22)31-26/h8-13,17-18H,5-7,14-15H2,1-4H3,(H,29,30)