N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-N-piperonyl-nipecotamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O3S/c25-20(22-11-14-7-8-17-18(10-14)27-13-26-17)15-4-3-9-24(12-15)21-23-16-5-1-2-6-19(16)28-21/h1-2,5-8,10,15H,3-4,9,11-13H2,(H,22,25)