1-[6-(4-phenylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione

Systemtic Name: 1-[6-(4-phenylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione Openeye Name: 1-[6-(4-phenylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione CAS Name: 1-[6-[oxo-(4-phenyl-1-piperazinyl)methyl]-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione IUPAC Name: 1-[6-(4-phenylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione Traditional Name: 1-[6-(4-phenylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-quinone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1=O)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O3S/c27-19-8-9-20(28)26(19)22-23-17-7-6-15(14-18(17)30-22)21(29)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-7,14H,8-13H2