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

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-5-(hydroxymethyl)-1-imidazolyl]-N-cyclopropylacetamide IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopropylacetamide Traditional Name: N-cyclopropyl-2-[2-[[2-keto-2-(piperonylamino)ethyl]thio]-5-methylol-imidazol-1-yl]acetamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CN2C(=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)CO

Isomeric SMILES

C1CC1NC(=O)CN2C(=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)CO

InChI

InChI=1S/C19H22N4O5S/c24-9-14-7-21-19(23(14)8-17(25)22-13-2-3-13)29-10-18(26)20-6-12-1-4-15-16(5-12)28-11-27-15/h1,4-5,7,13,24H,2-3,6,8-11H2,(H,20,26)(H,22,25)