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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C25H24N5O3S+ MolecularWeight: 474.55476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3S/c1-28-11-13-29(14-12-28)21-10-9-17(16-22(21)30(32)33)24(31)26-19-6-4-5-18(15-19)25-27-20-7-2-3-8-23(20)34-25/h2-10,15-16H,11-14H2,1H3,(H,26,31)/p+1