1-[(2S)-2-ethylpiperidin-1-yl]-2-[3-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[3-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[[3-(6-methyl-1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[[3-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[3-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[[3-(6-methyl-1H-benzimidazol-2-yl)-2-pyridyl]thio]ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=C(C=CC=N2)C3=NC4=C(N3)C=C(C=C4)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=C(C=CC=N2)C3=NC4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C22H26N4OS/c1-3-16-7-4-5-12-26(16)20(27)14-28-22-17(8-6-11-23-22)21-24-18-10-9-15(2)13-19(18)25-21/h6,8-11,13,16H,3-5,7,12,14H2,1-2H3,(H,24,25)/t16-/m0/s1