2-[2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]carbonyl]phenyl]sulfanylethanamide

Systemtic Name: 2-[2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]carbonyl]phenyl]sulfanylethanamide Openeye Name: 2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]sulfanylacetamide CAS Name: 2-[[2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-oxomethyl]phenyl]thio]acetamide IUPAC Name: 2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]thio]acetamide Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C18H24N2O2S/c19-17(21)12-23-16-8-4-3-7-15(16)18(22)20-10-9-13-5-1-2-6-14(13)11-20/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H2,19,21)/t13-,14-/m1/s1