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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylthio)acetyl]isonipecotamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O4S2/c26-20(12-30-22-24-16-3-1-2-4-19(16)31-22)25-9-7-14(8-10-25)21(27)23-15-5-6-17-18(11-15)29-13-28-17/h1-6,11,14H,7-10,12-13H2,(H,23,27)