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

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C23H29N6O4S+ MolecularWeight: 485.57916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4S/c1-26-8-10-27(11-9-26)19-5-3-2-4-18(19)24-23(34)25-22(30)17-6-7-20(21(16-17)29(31)32)28-12-14-33-15-13-28/h2-7,16H,8-15H2,1H3,(H2,24,25,30,34)/p+1