2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(m-tolylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(3-methylbenzyl)piperazino]ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4OS/c1-16-5-4-6-17(13-16)14-24-9-11-25(12-10-24)20(26)15-27-21-22-18-7-2-3-8-19(18)23-21/h2-8,13H,9-12,14-15H2,1H3,(H,22,23)