2-(3-methylsulfanylpropyl)-4-(phenylcarbonyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-methylsulfanylpropyl)-4-(phenylcarbonyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-benzoyl-2-(3-methylsulfanylpropyl)-4H-isoquinoline-1,3-dione CAS Name: 4-benzoyl-2-[3-(methylthio)propyl]-4H-isoquinoline-1,3-dione IUPAC Name: 4-benzoyl-2-(3-methylsulfanylpropyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-benzoyl-2-[3-(methylthio)propyl]-4H-isoquinoline-1,3-quinone Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1C(=O)C(C2=CC=CC=C2C1=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCCN1C(=O)C(C2=CC=CC=C2C1=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3S/c1-25-13-7-12-21-19(23)16-11-6-5-10-15(16)17(20(21)24)18(22)14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3