2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methyl-ethanamide Openeye Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methyl-acetamide CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-5-(hydroxymethyl)-1-imidazolyl]-N-methylacetamide IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide Traditional Name: 2-[2-[[2-keto-2-(piperonylamino)ethyl]thio]-5-methylol-imidazol-1-yl]-N-methyl-acetamide Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CO

Isomeric SMILES

CNC(=O)CN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CO

InChI

InChI=1S/C17H20N4O5S/c1-18-15(23)7-21-12(8-22)6-20-17(21)27-9-16(24)19-5-11-2-3-13-14(4-11)26-10-25-13/h2-4,6,22H,5,7-10H2,1H3,(H,18,23)(H,19,24)