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

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-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-ylamino)-2-oxo-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-5-(hydroxymethyl)-1-imidazolyl]-N-prop-2-enylacetamide IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-5-methylol-imidazol-1-yl]acetamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CN1C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CO

Isomeric SMILES

C=CCNC(=O)CN1C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CO

InChI

InChI=1S/C18H20N4O5S/c1-2-5-19-16(24)8-22-13(9-23)7-20-18(22)28-10-17(25)21-12-3-4-14-15(6-12)27-11-26-14/h2-4,6-7,23H,1,5,8-11H2,(H,19,24)(H,21,25)