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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=S)N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(CC(=S)N)N1C(=O)C2=CC=CC=C2C1=O

InChI

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