1-[3-(4-methylpiperazin-1-yl)phenyl]-2-(1-methylsulfanylethyl)benzimidazole-5-carboxylate

Systemtic Name: 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-(1-methylsulfanylethyl)benzimidazole-5-carboxylate Openeye Name: 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-(1-methylsulfanylethyl)benzimidazole-5-carboxylate CAS Name: 1-[3-(4-methyl-1-piperazinyl)phenyl]-2-[1-(methylthio)ethyl]-5-benzimidazolecarboxylate IUPAC Name: 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-(1-methylsulfanylethyl)benzimidazole-5-carboxylate Traditional Name: 1-[3-(4-methylpiperazino)phenyl]-2-[1-(methylthio)ethyl]benzimidazole-5-carboxylate Formula: C22H25N4O2S- MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)C)C=CC(=C2)C(=O)[O-])SC

Isomeric SMILES

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)C)C=CC(=C2)C(=O)[O-])SC

InChI

InChI=1S/C22H26N4O2S/c1-15(29-3)21-23-19-13-16(22(27)28)7-8-20(19)26(21)18-6-4-5-17(14-18)25-11-9-24(2)10-12-25/h4-8,13-15H,9-12H2,1-3H3,(H,27,28)/p-1