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

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methyl-ethanamide Openeye Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methyl-acetamide CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-5-(hydroxymethyl)-1-imidazolyl]-N-methylacetamide IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide Traditional Name: 2-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-5-methylol-imidazol-1-yl]-N-methyl-acetamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S/c1-17-14(22)6-20-11(7-21)5-18-16(20)26-8-15(23)19-10-2-3-12-13(4-10)25-9-24-12/h2-5,21H,6-9H2,1H3,(H,17,22)(H,19,23)