N-(1,3-benzodioxol-5-yl)-1-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[5-(1,3-benzothiazol-2-yl)-1-oxopentyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[5-(1,3-benzothiazol-2-yl)pentanoyl]isonipecotamide Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N3O4S/c29-24(8-4-3-7-23-27-19-5-1-2-6-22(19)33-23)28-13-11-17(12-14-28)25(30)26-18-9-10-20-21(15-18)32-16-31-20/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14,16H2,(H,26,30)