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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-piperidinopyrimidin-4-yl)thio]acetamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O3S/c23-17(21-13-4-5-14-15(8-13)25-12-24-14)10-26-18-9-16(19-11-20-18)22-6-2-1-3-7-22/h4-5,8-9,11H,1-3,6-7,10,12H2,(H,21,23)