N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S/c1-26-10-12-27(13-11-26)18-8-6-16(14-19(18)28(30)31)22(29)25-23-24-21-17-5-3-2-4-15(17)7-9-20(21)32-23/h2-9,14H,10-13H2,1H3,(H,24,25,29)