N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c25-20(23-12-17-14-26-18-8-4-5-9-19(18)27-17)15-28-21-22-10-11-24(21)13-16-6-2-1-3-7-16/h1-11,17H,12-15H2,(H,23,25)