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

Systemtic Name: 1-[2-[2-[3-(cyclohexylmethylamino)propoxy]-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[2-[3-(cyclohexylmethylamino)propoxy]-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[2-[3-(cyclohexylmethylamino)propoxy]-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[2-[3-(cyclohexylmethylamino)propoxy]-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[2-[3-(cyclohexylmethylamino)propoxy]-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C25H31N3O4S MolecularWeight: 469.59634

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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-])OCCCNCC4CCCCC4

Isomeric SMILES

CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCNCC4CCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-18(29)27-22-10-5-6-11-24(22)33-25(27)21-16-20(28(30)31)12-13-23(21)32-15-7-14-26-17-19-8-3-2-4-9-19/h5-6,10-13,16,19,25-26H,2-4,7-9,14-15,17H2,1H3