N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-methoxyphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-methoxyphenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[[(4-methoxyphenyl)thio]methyl]ethyl]acetamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-15(26)24-20(14-31-19-7-5-18(28-2)6-8-19)23(27)25-10-9-16-11-21(29-3)22(30-4)12-17(16)13-25/h5-8,11-12,20H,9-10,13-14H2,1-4H3,(H,24,26)/t20-/m1/s1