(6R)-4-[2-(1,3-benzodioxol-5-yl)ethanoyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one

Systemtic Name: (6R)-4-[2-(1,3-benzodioxol-5-yl)ethanoyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one Openeye Name: (6R)-4-[2-(1,3-benzodioxol-5-yl)acetyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one CAS Name: (6R)-4-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-6-methyl-1-[2-(methylthio)phenyl]-2-piperazinone IUPAC Name: (6R)-4-[2-(1,3-benzodioxol-5-yl)acetyl]-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one Traditional Name: (6R)-4-[2-(1,3-benzodioxol-5-yl)acetyl]-6-methyl-1-[2-(methylthio)phenyl]piperazin-2-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(=O)N1C2=CC=CC=C2SC)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H]1CN(CC(=O)N1C2=CC=CC=C2SC)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4S/c1-14-11-22(12-21(25)23(14)16-5-3-4-6-19(16)28-2)20(24)10-15-7-8-17-18(9-15)27-13-26-17/h3-9,14H,10-13H2,1-2H3/t14-/m1/s1