(2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-perimidin-2-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-perimidin-2-ylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-perimidin-2-ylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(1H-perimidin-2-ylthio)propionamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C21H17N3O3S/c1-12(20(25)22-14-8-9-17-18(10-14)27-11-26-17)28-21-23-15-6-2-4-13-5-3-7-16(24-21)19(13)15/h2-10,12H,11H2,1H3,(H,22,25)(H,23,24)/t12-/m1/s1