N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-homopiperonyl-acetamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H19N3O3S/c1-11-7-12(2)20-17(19-11)24-9-16(21)18-6-5-13-3-4-14-15(8-13)23-10-22-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,18,21)