2-(3-bromophenyl)-6-(2-methylsulfanylethylamino)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3-bromophenyl)-6-(2-methylsulfanylethylamino)benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3-bromophenyl)-6-(2-methylsulfanylethylamino)benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3-bromophenyl)-6-[2-(methylthio)ethylamino]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-bromophenyl)-6-(2-methylsulfanylethylamino)benzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3-bromophenyl)-6-[2-(methylthio)ethylamino]benzo[de]isoquinoline-1,3-quinone Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CSCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN2O2S/c1-27-11-10-23-18-9-8-17-19-15(18)6-3-7-16(19)20(25)24(21(17)26)14-5-2-4-13(22)12-14/h2-9,12,23H,10-11H2,1H3