2-[4-(2-methylsulfanylbenzimidazol-1-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-(2-methylsulfanylbenzimidazol-1-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(2-methylsulfanylbenzimidazol-1-yl)-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[2-(methylthio)-1-benzimidazolyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(2-methylsulfanylbenzimidazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-[2-(methylthio)benzimidazol-1-yl]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C24H19N3O3S MolecularWeight: 429.49096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C24H19N3O3S/c1-31-24-25-18-11-2-3-12-19(18)27(24)20(28)13-6-14-26-22(29)16-9-4-7-15-8-5-10-17(21(15)16)23(26)30/h2-5,7-12H,6,13-14H2,1H3