N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C20H23ClN4O3S MolecularWeight: 434.93962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H23ClN4O3S/c1-13-4-6-25(7-5-13)18-9-17(21)23-20(24-18)29-11-19(26)22-10-14-2-3-15-16(8-14)28-12-27-15/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,22,26)