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

Systemtic Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(4-butylphenyl)sulfanylmethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(4-butylphenyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(4-butylphenyl)thio]methyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]acetamide Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)NC(=O)C

InChI

InChI=1S/C26H34N2O4S/c1-5-6-7-19-8-10-22(11-9-19)33-17-23(27-18(2)29)26(30)28-13-12-20-14-24(31-3)25(32-4)15-21(20)16-28/h8-11,14-15,23H,5-7,12-13,16-17H2,1-4H3,(H,27,29)/t23-/m1/s1