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

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]ethanamide Openeye Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-5-(hydroxymethyl)-1-imidazolyl]acetamide IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide Traditional Name: 2-[2-[[2-keto-2-(piperonylamino)ethyl]thio]-5-methylol-imidazol-1-yl]acetamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=C(N3CC(=O)N)CO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=C(N3CC(=O)N)CO

InChI

InChI=1S/C16H18N4O5S/c17-14(22)6-20-11(7-21)5-19-16(20)26-8-15(23)18-4-10-1-2-12-13(3-10)25-9-24-12/h1-3,5,21H,4,6-9H2,(H2,17,22)(H,18,23)