6-bromanyl-2-[(4-methylsulfanylphenyl)methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-[(4-methylsulfanylphenyl)methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-bromo-2-[(4-methylsulfanylphenyl)methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-bromo-2-[[4-(methylthio)phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-2-[(4-methylsulfanylphenyl)methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-bromo-2-[4-(methylthio)benzyl]-4-phenyl-3-propionyl-isocarbostyril Formula: C26H22BrNO2S MolecularWeight: 492.42738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrNO2S/c1-3-23(29)25-24(18-7-5-4-6-8-18)22-15-19(27)11-14-21(22)26(30)28(25)16-17-9-12-20(31-2)13-10-17/h4-15H,3,16H2,1-2H3