1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[1-(p-tolyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[[1-(p-tolyl)benzimidazol-2-yl]thio]ethanone Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)C

InChI

InChI=1S/C23H27N3OS/c1-3-18-8-6-7-15-25(18)22(27)16-28-23-24-20-9-4-5-10-21(20)26(23)19-13-11-17(2)12-14-19/h4-5,9-14,18H,3,6-8,15-16H2,1-2H3/t18-/m0/s1