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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-perimidin-2-ylthio)acetamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C21H17N3O3S/c25-19(22-14-7-8-17-18(11-14)27-10-9-26-17)12-28-21-23-15-5-1-3-13-4-2-6-16(24-21)20(13)15/h1-8,11H,9-10,12H2,(H,22,25)(H,23,24)