4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanethioamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanethioamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butanethioamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanethioamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butanethioamide Traditional Name: 4-phthalimidothiobutyramide Formula: C12H12N2O2S MolecularWeight: 248.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=S)N

InChI

InChI=1S/C12H12N2O2S/c13-10(17)6-3-7-14-11(15)8-4-1-2-5-9(8)12(14)16/h1-2,4-5H,3,6-7H2,(H2,13,17)