2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(1,3-diketo-4H-isoquinolin-2-yl)acetamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c23-18(21-10-11-26-14-15-6-2-1-3-7-15)13-22-19(24)12-16-8-4-5-9-17(16)20(22)25/h1-9H,10-14H2,(H,21,23)