6-[(4-azanyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide

Systemtic Name: 6-[(4-azanyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide Openeye Name: 6-[(4-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-diisopropylphenyl)hexanamide CAS Name: 6-[(4-amino-1,3-benzoxazol-2-yl)thio]-N-[2,6-di(propan-2-yl)phenyl]hexanamide IUPAC Name: 6-[(4-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide Traditional Name: 6-[(4-amino-1,3-benzoxazol-2-yl)thio]-N-(2,6-diisopropylphenyl)hexanamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2S/c1-16(2)18-10-8-11-19(17(3)4)23(18)27-22(29)14-6-5-7-15-31-25-28-24-20(26)12-9-13-21(24)30-25/h8-13,16-17H,5-7,14-15,26H2,1-4H3,(H,27,29)