N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-(phenylsulfanylmethyl)ethyl]acetamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(phenylthio)propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylsulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[(phenylthio)methyl]ethyl]acetamide Formula: C20H22N2O2S MolecularWeight: 354.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=C1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC=C1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H22N2O2S/c1-15(23)21-19(14-25-18-9-3-2-4-10-18)20(24)22-12-11-16-7-5-6-8-17(16)13-22/h2-10,19H,11-14H2,1H3,(H,21,23)/t19-/m1/s1