N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)-3-piperidyl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)-3-piperidinyl]methyl]-2-[(5-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(5-phenylpyrimidin-2-yl)thio]-N-[(1-piperonyl-3-piperidyl)methyl]acetamide Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)CNC(=O)CSC4=NC=C(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)CNC(=O)CSC4=NC=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O3S/c31-25(17-34-26-28-13-22(14-29-26)21-6-2-1-3-7-21)27-12-20-5-4-10-30(16-20)15-19-8-9-23-24(11-19)33-18-32-23/h1-3,6-9,11,13-14,20H,4-5,10,12,15-18H2,(H,27,31)