2-[(E)-2-(3-nitro-4-piperidin-1-yl-phenyl)ethenyl]benzo[e][1,3]benzothiazole

Systemtic Name: 2-[(E)-2-(3-nitro-4-piperidin-1-yl-phenyl)ethenyl]benzo[e][1,3]benzothiazole Openeye Name: 2-[(E)-2-[3-nitro-4-(1-piperidyl)phenyl]vinyl]benzo[e][1,3]benzothiazole CAS Name: 2-[(E)-2-[3-nitro-4-(1-piperidinyl)phenyl]ethenyl]benzo[e][1,3]benzothiazole IUPAC Name: 2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]benzo[e][1,3]benzothiazole Traditional Name: 2-[(E)-2-(3-nitro-4-piperidino-phenyl)vinyl]benzo[e][1,3]benzothiazole Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=CC3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C/C3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O2S/c28-27(29)21-16-17(8-11-20(21)26-14-4-1-5-15-26)9-13-23-25-24-19-7-3-2-6-18(19)10-12-22(24)30-23/h2-3,6-13,16H,1,4-5,14-15H2/b13-9+