2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N-phenethyl-ethanethioamide

Systemtic Name: 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N-phenethyl-ethanethioamide Openeye Name: 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N-phenethyl-thioacetamide CAS Name: 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N-phenethylethanethioamide IUPAC Name: 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N-phenethylethanethioamide Traditional Name: 2-(7,8-dihydro-[1,3]dioxol[4,5-g]isoquinolin-5-yl)-N-phenethyl-thioacetamide Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC3=C(C=C21)OCO3)CC(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN=C(C2=CC3=C(C=C21)OCO3)CC(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O2S/c25-20(22-8-6-14-4-2-1-3-5-14)12-17-16-11-19-18(23-13-24-19)10-15(16)7-9-21-17/h1-5,10-11H,6-9,12-13H2,(H,22,25)