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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-2-methyl-propanethioamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-2-methyl-propanethioamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-2-methylpropanethioamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-2-methylpropanethioamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-2-methyl-thiopropionamide Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)CC2=CC=CC=C2C1=O)C(=S)N

Isomeric SMILES

CC(CN1C(=O)CC2=CC=CC=C2C1=O)C(=S)N

InChI

InChI=1S/C13H14N2O2S/c1-8(12(14)18)7-15-11(16)6-9-4-2-3-5-10(9)13(15)17/h2-5,8H,6-7H2,1H3,(H2,14,18)