N-(1,3-benzodioxol-5-ylmethyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(6-piperidinopyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N4O3S/c24-18(20-10-14-4-5-15-16(8-14)26-13-25-15)11-27-19-9-17(21-12-22-19)23-6-2-1-3-7-23/h4-5,8-9,12H,1-3,6-7,10-11,13H2,(H,20,24)