4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carbothioamide

Systemtic Name: 4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carbothioamide Openeye Name: 4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]-N-(3-pyridylmethyl)piperidine-1-carbothioamide CAS Name: 4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-N-(3-pyridinylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carbothioamide Traditional Name: 4-[2-keto-3-(3-piperidinopropyl)benzimidazol-1-yl]-N-(3-pyridylmethyl)piperidine-1-carbothioamide Formula: C27H36N6OS MolecularWeight: 492.67934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NCC5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NCC5=CN=CC=C5

InChI

InChI=1S/C27H36N6OS/c34-27-32(17-7-16-30-14-4-1-5-15-30)24-9-2-3-10-25(24)33(27)23-11-18-31(19-12-23)26(35)29-21-22-8-6-13-28-20-22/h2-3,6,8-10,13,20,23H,1,4-5,7,11-12,14-19,21H2,(H,29,35)