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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(hydroxymethyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-allyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(hydroxymethyl)-1-prop-2-enyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(hydroxymethyl)-1-prop-2-enylimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[(1-allyl-5-methylol-imidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CO

Isomeric SMILES

C=CCN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CO

InChI

InChI=1S/C17H19N3O4S/c1-2-5-20-13(9-21)8-19-17(20)25-10-16(22)18-7-12-3-4-14-15(6-12)24-11-23-14/h2-4,6,8,21H,1,5,7,9-11H2,(H,18,22)