3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O3S/c1-2-11-27-15-9-7-14(8-10-15)24-20(25)12-18(21(24)26)28-13-19-22-16-5-3-4-6-17(16)23-19/h3-10,18H,2,11-13H2,1H3,(H,22,23)