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

Systemtic Name: 3-[4-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione Openeye Name: 3-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: 3-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-1-piperazinyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazino]-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C26H30N4O4S MolecularWeight: 494.6058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC(COC4=CC5=C(C=C4)SC(=N5)C)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC(COC4=CC5=C(C=C4)SC(=N5)C)O

InChI

InChI=1S/C26H30N4O4S/c1-17-3-5-19(6-4-17)30-25(32)14-23(26(30)33)29-11-9-28(10-12-29)15-20(31)16-34-21-7-8-24-22(13-21)27-18(2)35-24/h3-8,13,20,23,31H,9-12,14-16H2,1-2H3