N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenyl-ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-phenylacetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-diketothiolan-3-yl]-N-phenyl-acetamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2=CC=CC=C2)C(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O3S/c24-21(15-22-12-10-17-6-4-5-7-18(17)14-22)23(19-8-2-1-3-9-19)20-11-13-27(25,26)16-20/h1-9,20H,10-16H2/t20-/m0/s1