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

Systemtic Name: ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-benzimidazole-5-carboxylate CAS Name: 1-[3-(4-methyl-1-piperazinyl)phenyl]-2-(methylthio)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylbenzimidazole-5-carboxylate Traditional Name: 1-[3-(4-methylpiperazino)phenyl]-2-(methylthio)benzimidazole-5-carboxylic acid ethyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SC)C3=CC(=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SC)C3=CC(=CC=C3)N4CCN(CC4)C

InChI

InChI=1S/C22H26N4O2S/c1-4-28-21(27)16-8-9-20-19(14-16)23-22(29-3)26(20)18-7-5-6-17(15-18)25-12-10-24(2)11-13-25/h5-9,14-15H,4,10-13H2,1-3H3