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

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-isopropyl-acetamide CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-5-(hydroxymethyl)-1-imidazolyl]-N-propan-2-ylacetamide IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[2-[[2-keto-2-(piperonylamino)ethyl]thio]-5-methylol-imidazol-1-yl]acetamide Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5S/c1-12(2)22-17(25)8-23-14(9-24)7-21-19(23)29-10-18(26)20-6-13-3-4-15-16(5-13)28-11-27-15/h3-5,7,12,24H,6,8-11H2,1-2H3,(H,20,26)(H,22,25)