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

Systemtic Name: 2-[4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[2-(ethylthio)-1-benzimidazolyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[2-(ethylthio)benzimidazol-1-yl]-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2N1C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CCSC1=NC2=CC=CC=C2N1C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H21N3O3S/c1-2-32-25-26-19-12-3-4-13-20(19)28(25)21(29)14-7-15-27-23(30)17-10-5-8-16-9-6-11-18(22(16)17)24(27)31/h3-6,8-13H,2,7,14-15H2,1H3