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

Systemtic Name: N-[(2S)-3-(3-bromophenyl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(3-bromophenyl)sulfanylmethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(3-bromophenyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(3-bromophenyl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(3-bromophenyl)thio]methyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]acetamide Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4S/c1-14(26)24-19(13-30-18-6-4-5-17(23)11-18)22(27)25-8-7-15-9-20(28-2)21(29-3)10-16(15)12-25/h4-6,9-11,19H,7-8,12-13H2,1-3H3,(H,24,26)/t19-/m1/s1