3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanethioamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanethioamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanethioamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanethioamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanethioamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)thiopropionamide Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=S)N

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=S)N

InChI

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