N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S/c24-19(22-16-6-7-17-18(12-16)26-11-10-25-17)14-27-20-21-8-9-23(20)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2,(H,22,24)