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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(2-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethylthio)ethyl]acetamide IUPAC Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)-N-[2-(2-thenylthio)ethyl]acetamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C18H18N2O3S2/c21-16(19-7-9-24-12-14-5-3-8-25-14)11-20-17(22)10-13-4-1-2-6-15(13)18(20)23/h1-6,8H,7,9-12H2,(H,19,21)