N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1H-perimidin-2-ylthio)acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C22H19N3O3S/c26-20(23-11-15-12-27-18-9-1-2-10-19(18)28-15)13-29-22-24-16-7-3-5-14-6-4-8-17(25-22)21(14)16/h1-10,15H,11-13H2,(H,23,26)(H,24,25)/t15-/m1/s1