N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(methylthio)-3-phenyl-4-imidazolecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(methylthio)-3-phenyl-imidazole-4-carboxamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C(N3C4=CC=CC=C4)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C(N3C4=CC=CC=C4)SC

InChI

InChI=1S/C22H25N5OS/c1-25-12-14-26(15-13-25)18-10-8-17(9-11-18)24-21(28)20-16-23-22(29-2)27(20)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,24,28)/p+1