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

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluorophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-fluorophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-fluorophenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluorophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[[(4-fluorophenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C20H21FN2O2S MolecularWeight: 372.456343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O2S/c1-14(24)22-19(13-26-18-8-6-17(21)7-9-18)20(25)23-11-10-15-4-2-3-5-16(15)12-23/h2-9,19H,10-13H2,1H3,(H,22,24)/t19-/m1/s1