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

Systemtic Name: 1-[2-[2-[3-(dimethylamino)propoxy]-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[2-[3-(dimethylamino)propoxy]-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[2-[3-(dimethylamino)propoxy]-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[2-[3-(dimethylamino)propoxy]-5-nitrophenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[2-[3-(dimethylamino)propoxy]-5-nitro-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C20H23N3O4S MolecularWeight: 401.47932

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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-])OCCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-14(24)22-17-7-4-5-8-19(17)28-20(22)16-13-15(23(25)26)9-10-18(16)27-12-6-11-21(2)3/h4-5,7-10,13,20H,6,11-12H2,1-3H3