1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-[3-(1H-benzimidazol-2-yl)piperidino]-2-(p-tolylthio)propan-1-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3OS/c1-15-9-11-18(12-10-15)27-16(2)22(26)25-13-5-6-17(14-25)21-23-19-7-3-4-8-20(19)24-21/h3-4,7-12,16-17H,5-6,13-14H2,1-2H3,(H,23,24)