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

Systemtic Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-(4-propan-2-ylphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-isopropylphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-[(4-propan-2-ylphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(4-propan-2-ylphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[(p-cumenylthio)methyl]ethyl]acetamide Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-16(2)18-6-8-21(9-7-18)32-15-22(26-17(3)28)25(29)27-11-10-19-12-23(30-4)24(31-5)13-20(19)14-27/h6-9,12-13,16,22H,10-11,14-15H2,1-5H3,(H,26,28)/t22-/m1/s1