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

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-(4-propan-2-ylphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-isopropylphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-[(4-propan-2-ylphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(4-propan-2-ylphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[(p-cumenylthio)methyl]ethyl]acetamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC[C@H](C(=O)N2CCC3=CC=CC=C3C2)NC(=O)C

InChI

InChI=1S/C23H28N2O2S/c1-16(2)18-8-10-21(11-9-18)28-15-22(24-17(3)26)23(27)25-13-12-19-6-4-5-7-20(19)14-25/h4-11,16,22H,12-15H2,1-3H3,(H,24,26)/t22-/m1/s1