2-[4-(1H-benzimidazol-2-ylmethylsulfanyl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(1H-benzimidazol-2-ylmethylsulfanyl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1H-benzimidazol-2-ylmethylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(1H-benzimidazol-2-ylmethylthio)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1H-benzimidazol-2-ylmethylsulfanyl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(1H-benzimidazol-2-ylmethylthio)butyl]isoindoline-1,3-quinone Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H19N3O2S/c24-19-14-7-1-2-8-15(14)20(25)23(19)11-5-6-12-26-13-18-21-16-9-3-4-10-17(16)22-18/h1-4,7-10H,5-6,11-13H2,(H,21,22)