2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-1-(2-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-1-(2-methylpiperidino)ethanone Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-16-7-5-6-12-25(16)21(27)15-28-22-24-19-13-18(23)10-11-20(19)26(22)14-17-8-3-2-4-9-17/h2-4,8-11,13,16H,5-7,12,14-15H2,1H3