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

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-6-[(4-nitro-1,3-benzoxazol-2-yl)sulfanyl]hexanamide Openeye Name: N-(2,6-diisopropylphenyl)-6-[(4-nitro-1,3-benzoxazol-2-yl)sulfanyl]hexanamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-6-[(4-nitro-1,3-benzoxazol-2-yl)thio]hexanamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-6-[(4-nitro-1,3-benzoxazol-2-yl)sulfanyl]hexanamide Traditional Name: N-(2,6-diisopropylphenyl)-6-[(4-nitro-1,3-benzoxazol-2-yl)thio]hexanamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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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+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCSC2=NC3=C(C=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O4S/c1-16(2)18-10-8-11-19(17(3)4)23(18)26-22(29)14-6-5-7-15-33-25-27-24-20(28(30)31)12-9-13-21(24)32-25/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,26,29)