N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(hydroxymethyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(hydroxymethyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-allyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(hydroxymethyl)-1-prop-2-enyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(hydroxymethyl)-1-prop-2-enylimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[(1-allyl-5-methylol-imidazol-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)CO

Isomeric SMILES

C=CCN1C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)CO

InChI

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