3-[4-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[4-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: 3-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: 3-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: 3-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: 3-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazino]-1-phenyl-pyrrolidine-2,5-quinone Formula: C25H28N4O4S MolecularWeight: 480.57922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)C4CC(=O)N(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)C4CC(=O)N(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C25H28N4O4S/c1-17-26-21-13-20(7-8-23(21)34-17)33-16-19(30)15-27-9-11-28(12-10-27)22-14-24(31)29(25(22)32)18-5-3-2-4-6-18/h2-8,13,19,22,30H,9-12,14-16H2,1H3