3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: 3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-[2-(1H-benzimidazol-2-yl)ethylthio]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[2-(1H-benzimidazol-2-yl)ethylthio]-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N3O3S/c1-2-12-28-16-9-7-15(8-10-16)25-21(26)14-19(22(25)27)29-13-11-20-23-17-5-3-4-6-18(17)24-20/h3-10,19H,2,11-14H2,1H3,(H,23,24)