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

Systemtic Name: 4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]-N-pyridin-3-yl-piperidine-1-carbothioamide Openeye Name: 4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]-N-(3-pyridyl)piperidine-1-carbothioamide CAS Name: 4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-N-(3-pyridinyl)-1-piperidinecarbothioamide IUPAC Name: 4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]-N-pyridin-3-ylpiperidine-1-carbothioamide Traditional Name: 4-[2-keto-3-(3-piperidinopropyl)benzimidazol-1-yl]-N-(3-pyridyl)piperidine-1-carbothioamide Formula: C26H34N6OS MolecularWeight: 478.65276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC5=CN=CC=C5

InChI

InChI=1S/C26H34N6OS/c33-26-31(17-7-16-29-14-4-1-5-15-29)23-9-2-3-10-24(23)32(26)22-11-18-30(19-12-22)25(34)28-21-8-6-13-27-20-21/h2-3,6,8-10,13,20,22H,1,4-5,7,11-12,14-19H2,(H,28,34)