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

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-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]-N-prop-2-enylacetamide IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-2-5-20-17(25)9-23-14(10-24)8-22-19(23)29-11-18(26)21-7-13-3-4-15-16(6-13)28-12-27-15/h2-4,6,8,24H,1,5,7,9-12H2,(H,20,25)(H,21,26)