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

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(4-benzyloxyphenyl)sulfanylmethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-[(4-phenylmethoxyphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(4-benzoxyphenyl)thio]methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]acetamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H28N2O3S/c1-20(30)28-26(27(31)29-16-15-22-9-5-6-10-23(22)17-29)19-33-25-13-11-24(12-14-25)32-18-21-7-3-2-4-8-21/h2-14,26H,15-19H2,1H3,(H,28,30)/t26-/m1/s1