3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(2-phenylsulfanylethyl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(2-phenylsulfanylethyl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(2-phenylsulfanylethyl)propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(phenylthio)ethyl]propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(2-phenylsulfanylethyl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-[2-(phenylthio)ethyl]propionamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NCCSC3=CC=CC=C3

InChI

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