N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[5-phenyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[1-[[(2R)-2-oxolanyl]methyl]-5-phenyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide Traditional Name: N-ethyl-2-[[5-phenyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC=C(N3CC4CCCO4)C5=CC=CC=C5

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC=C(N3C[C@H]4CCCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N3O4S/c1-2-28(15-19-10-11-23-24(13-19)33-18-32-23)25(30)17-34-26-27-14-22(20-7-4-3-5-8-20)29(26)16-21-9-6-12-31-21/h3-5,7-8,10-11,13-14,21H,2,6,9,12,15-18H2,1H3/t21-/m1/s1