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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c14-11(18)6-3-7-15-12(16)8-9-4-1-2-5-10(9)13(15)17/h1-2,4-5H,3,6-8H2,(H2,14,18)