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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanethioamide Openeye Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)thioacetamide CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)ethanethioamide IUPAC Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)ethanethioamide Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)thioacetamide Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O2S/c12-9(16)6-13-10(14)5-7-3-1-2-4-8(7)11(13)15/h1-4H,5-6H2,(H2,12,16)