1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(1H-benzimidazol-2-yl)-1-piperidyl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(1H-benzimidazol-2-yl)piperidino]-2-(p-tolylthio)ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3OS/c1-15-6-8-17(9-7-15)26-14-20(25)24-12-10-16(11-13-24)21-22-18-4-2-3-5-19(18)23-21/h2-9,16H,10-14H2,1H3,(H,22,23)