N-(1,3-benzodioxol-5-yl)-1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]isonipecotamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C21H20N4O4S2/c26-18(10-31-21-15-5-8-30-20(15)22-11-23-21)25-6-3-13(4-7-25)19(27)24-14-1-2-16-17(9-14)29-12-28-16/h1-2,5,8-9,11,13H,3-4,6-7,10,12H2,(H,24,27)