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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(2-allylsulfanylbenzimidazol-1-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(prop-2-enylthio)-1-benzimidazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-prop-2-enylsulfanylbenzimidazol-1-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-[[2-(allylthio)benzimidazol-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1CN3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1CN3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O3S/c1-2-13-32-24-26-19-5-3-4-6-20(19)28(24)15-27-11-9-17(10-12-27)23(29)25-18-7-8-21-22(14-18)31-16-30-21/h2-8,14,17H,1,9-13,15-16H2,(H,25,29)