3-[1-[1-(2-pyridin-4-ylethanethioyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[1-(2-pyridin-4-ylethanethioyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[1-[2-(4-pyridyl)ethanethioyl]-4-piperidyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[1-(2-pyridin-4-yl-1-sulfanylideneethyl)-4-piperidinyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[1-(2-pyridin-4-ylethanethioyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[1-[2-(4-pyridyl)thioacetyl]-4-piperidyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4CCN(CC4)C(=S)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4CCN(CC4)C(=S)CC5=CC=NC=C5

InChI

InChI=1S/C24H29N5OS/c30-24-26-21-3-1-2-4-22(21)29(24)20-9-13-27(14-10-20)19-7-15-28(16-8-19)23(31)17-18-5-11-25-12-6-18/h1-6,11-12,19-20H,7-10,13-17H2,(H,26,30)