1-[2-[5-nitro-2-[3-(pyridin-3-ylmethylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone

Systemtic Name: 1-[2-[5-nitro-2-[3-(pyridin-3-ylmethylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[5-nitro-2-[3-(3-pyridylmethylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[5-nitro-2-[3-(3-pyridinylmethylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[5-nitro-2-[3-(pyridin-3-ylmethylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[5-nitro-2-[3-(3-pyridylmethylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCNCC4=CN=CC=C4

Isomeric SMILES

CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCNCC4=CN=CC=C4

InChI

InChI=1S/C24H24N4O4S/c1-17(29)27-21-7-2-3-8-23(21)33-24(27)20-14-19(28(30)31)9-10-22(20)32-13-5-12-26-16-18-6-4-11-25-15-18/h2-4,6-11,14-15,24,26H,5,12-13,16H2,1H3