N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=CN3CC4=CC=CC=C4)CO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=CN3CC4=CC=CC=C4)CO

InChI

InChI=1S/C21H21N3O4S/c25-12-17-11-24(10-15-4-2-1-3-5-15)21(23-17)29-13-20(26)22-9-16-6-7-18-19(8-16)28-14-27-18/h1-8,11,25H,9-10,12-14H2,(H,22,26)