(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4H-3,1-benzothiazin-2-ylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanamide Traditional Name: (2R)-2-(4H-3,1-benzothiazin-2-ylthio)-N-piperonyl-propionamide Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4CS3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4CS3

InChI

InChI=1S/C19H18N2O3S2/c1-12(26-19-21-15-5-3-2-4-14(15)10-25-19)18(22)20-9-13-6-7-16-17(8-13)24-11-23-16/h2-8,12H,9-11H2,1H3,(H,20,22)/t12-/m1/s1