1-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Openeye Name: 1-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: 1-[4-(1H-benzimidazol-2-ylthio)-1-oxobutyl]-N-(1,3-benzodioxol-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Traditional Name: 1-[4-(1H-benzimidazol-2-ylthio)butanoyl]-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCCSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCCSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H26N4O4S/c29-22(6-3-13-33-24-26-18-4-1-2-5-19(18)27-24)28-11-9-16(10-12-28)23(30)25-17-7-8-20-21(14-17)32-15-31-20/h1-2,4-5,7-8,14,16H,3,6,9-13,15H2,(H,25,30)(H,26,27)