N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-N-homopiperonyl-nipecotamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O3S/c26-21(23-10-9-15-7-8-18-19(12-15)28-14-27-18)16-4-3-11-25(13-16)22-24-17-5-1-2-6-20(17)29-22/h1-2,5-8,12,16H,3-4,9-11,13-14H2,(H,23,26)