N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]propionamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=C(N3CC4CCCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=C(N3CC4CCCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O4S/c1-17(24(29)27-19-9-10-22-23(14-19)32-13-12-31-22)33-25-26-15-21(18-6-3-2-4-7-18)28(25)16-20-8-5-11-30-20/h2-4,6-7,9-10,14-15,17,20H,5,8,11-13,16H2,1H3,(H,27,29)