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

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-isopropyl-acetamide CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-5-(hydroxymethyl)-1-imidazolyl]-N-propan-2-ylacetamide IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-5-methylol-imidazol-1-yl]-N-isopropyl-acetamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-11(2)20-16(24)7-22-13(8-23)6-19-18(22)28-9-17(25)21-12-3-4-14-15(5-12)27-10-26-14/h3-6,11,23H,7-10H2,1-2H3,(H,20,24)(H,21,25)