3-[3-[4-(5-chloranyl-2-methylsulfanyl-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-(5-chloranyl-2-methylsulfanyl-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-(5-chloro-2-methylsulfanyl-benzimidazol-1-yl)-1-piperidyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-[5-chloro-2-(methylthio)-1-benzimidazolyl]-1-piperidinyl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(5-chloro-2-methylsulfanylbenzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[4-[5-chloro-2-(methylthio)benzimidazol-1-yl]piperidino]propyl]-1H-benzimidazol-2-one Formula: C23H26ClN5OS MolecularWeight: 456.00344

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1C3CCN(CC3)CCCN4C5=CC=CC=C5NC4=O)C=CC(=C2)Cl

Isomeric SMILES

CSC1=NC2=C(N1C3CCN(CC3)CCCN4C5=CC=CC=C5NC4=O)C=CC(=C2)Cl

InChI

InChI=1S/C23H26ClN5OS/c1-31-23-26-19-15-16(24)7-8-21(19)29(23)17-9-13-27(14-10-17)11-4-12-28-20-6-3-2-5-18(20)25-22(28)30/h2-3,5-8,15,17H,4,9-14H2,1H3,(H,25,30)