(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Openeye Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylsulfanyl)propanamide CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylthio)propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Traditional Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylthio)propionamide Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C22H19N3O3S/c1-13(21(26)23-15-8-9-18-19(12-15)28-11-10-27-18)29-22-24-16-6-2-4-14-5-3-7-17(25-22)20(14)16/h2-9,12-13H,10-11H2,1H3,(H,23,26)(H,24,25)/t13-/m1/s1