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

Systemtic Name: N-[(2S)-3-(3-bromophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(3-bromophenyl)sulfanylmethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(3-bromophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(3-bromophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(3-bromophenyl)thio]methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]acetamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O2S/c1-14(24)22-19(13-26-18-8-4-7-17(21)11-18)20(25)23-10-9-15-5-2-3-6-16(15)12-23/h2-8,11,19H,9-10,12-13H2,1H3,(H,22,24)/t19-/m1/s1