3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methyl-propanethioamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methyl-propanethioamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-2-methyl-propanethioamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-2-methylpropanethioamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-2-methylpropanethioamide Traditional Name: 2-methyl-3-phthalimido-thiopropionamide Formula: C12H12N2O2S MolecularWeight: 248.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=CC=CC=C2C1=O)C(=S)N

Isomeric SMILES

CC(CN1C(=O)C2=CC=CC=C2C1=O)C(=S)N

InChI

InChI=1S/C12H12N2O2S/c1-7(10(13)17)6-14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,7H,6H2,1H3,(H2,13,17)