2-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(6-methoxy-1H-benzimidazol-2-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(6-methoxy-1H-benzimidazol-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H19N3O3S/c1-26-13-8-9-16-17(12-13)22-20(21-16)27-11-5-4-10-23-18(24)14-6-2-3-7-15(14)19(23)25/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,22)