N-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-isopropylsulfanylbenzimidazol-1-yl)methyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(propan-2-ylthio)-1-benzimidazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(isopropylthio)benzimidazol-1-yl]methyl]isonipecotamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC=CC=C2N1CN3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)SC1=NC2=CC=CC=C2N1CN3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N4O3S/c1-16(2)32-24-26-19-5-3-4-6-20(19)28(24)14-27-11-9-17(10-12-27)23(29)25-18-7-8-21-22(13-18)31-15-30-21/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,25,29)