2-[4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]butyl]isoindoline-1,3-quinone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H23N3O3S/c26-20-16-8-1-2-9-17(16)21(27)25(20)12-5-6-14-29-15-7-13-24-19-11-4-3-10-18(19)23-22(24)28/h1-4,8-11H,5-7,12-15H2,(H,23,28)