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

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-6-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]hexanamide Openeye Name: N-(2,6-diisopropylphenyl)-6-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]hexanamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-6-[(6-nitro-1,3-benzothiazol-2-yl)thio]hexanamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-6-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]hexanamide Traditional Name: N-(2,6-diisopropylphenyl)-6-[(6-nitro-1,3-benzothiazol-2-yl)thio]hexanamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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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(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O3S2/c1-16(2)19-9-8-10-20(17(3)4)24(19)27-23(29)11-6-5-7-14-32-25-26-21-13-12-18(28(30)31)15-22(21)33-25/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,27,29)