3-(azepan-1-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione CAS Name: 3-(1-azepanyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-quinone Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)N5CCCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)N5CCCCCC5

InChI

InChI=1S/C24H25N3O2S/c1-16-6-11-19-21(14-16)30-23(25-19)17-7-9-18(10-8-17)27-22(28)15-20(24(27)29)26-12-4-2-3-5-13-26/h6-11,14,20H,2-5,12-13,15H2,1H3