6-bromanyl-3-ethanoyl-2-[[4-(methylsulfanylmethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-3-ethanoyl-2-[[4-(methylsulfanylmethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-acetyl-6-bromo-2-[[4-(methylsulfanylmethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-acetyl-6-bromo-2-[[4-[(methylthio)methyl]phenyl]methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-acetyl-6-bromo-2-[[4-(methylsulfanylmethyl)phenyl]methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-acetyl-6-bromo-2-[4-[(methylthio)methyl]benzyl]-4-phenyl-isocarbostyril Formula: C26H22BrNO2S MolecularWeight: 492.42738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)CSC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)CSC)C4=CC=CC=C4

InChI

InChI=1S/C26H22BrNO2S/c1-17(29)25-24(20-6-4-3-5-7-20)23-14-21(27)12-13-22(23)26(30)28(25)15-18-8-10-19(11-9-18)16-31-2/h3-14H,15-16H2,1-2H3