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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-perimidin-2-ylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Traditional Name: (2R)-2-(1H-perimidin-2-ylthio)-N-piperonyl-propionamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

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