N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-6-ylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-6-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[1,3-benzothiazol-6-yl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazole-6-carbonyl)isonipecotamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H19N3O4S/c25-20(23-15-2-4-17-18(10-15)28-12-27-17)13-5-7-24(8-6-13)21(26)14-1-3-16-19(9-14)29-11-22-16/h1-4,9-11,13H,5-8,12H2,(H,23,25)