2-(3-methylbutylsulfanyl)-1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole

Systemtic Name: 2-(3-methylbutylsulfanyl)-1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole Openeye Name: 2-isopentylsulfanyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole CAS Name: 2-(3-methylbutylthio)-1-[(4-methylsulfonyl-1-piperazinyl)methyl]benzimidazole IUPAC Name: 2-(3-methylbutylsulfanyl)-1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole Traditional Name: 2-(isoamylthio)-1-[(4-mesylpiperazino)methyl]benzimidazole Formula: C18H28N4O2S2 MolecularWeight: 396.57052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=CC=CC=C2N1CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCSC1=NC2=CC=CC=C2N1CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H28N4O2S2/c1-15(2)8-13-25-18-19-16-6-4-5-7-17(16)22(18)14-20-9-11-21(12-10-20)26(3,23)24/h4-7,15H,8-14H2,1-3H3