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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C23H25N6O4S+ MolecularWeight: 481.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O4S/c1-15(30)24-18-6-3-16(4-7-18)19-14-34-23(25-19)26-22(31)17-5-8-20(21(13-17)29(32)33)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12H2,1-2H3,(H,24,30)(H,25,26,31)/p+1