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

Systemtic Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-(4-phenoxyphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-[(4-phenoxyphenyl)sulfanylmethyl]ethyl]acetamide CAS Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-[(4-phenoxyphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[[(4-phenoxyphenyl)thio]methyl]ethyl]acetamide Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C28H30N2O5S/c1-19(31)29-25(18-36-24-11-9-23(10-12-24)35-22-7-5-4-6-8-22)28(32)30-14-13-20-15-26(33-2)27(34-3)16-21(20)17-30/h4-12,15-16,25H,13-14,17-18H2,1-3H3,(H,29,31)/t25-/m1/s1