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

Systemtic Name: 3-(cyclooctylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Openeye Name: 3-(cyclooctylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione CAS Name: 3-(cyclooctylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione IUPAC Name: 3-(cyclooctylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Traditional Name: 3-(cyclooctylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-quinone Formula: C26H29N3O2S MolecularWeight: 447.59236

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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)NC5CCCCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)NC5CCCCCCC5

InChI

InChI=1S/C26H29N3O2S/c1-17-9-14-21-23(15-17)32-25(28-21)18-10-12-20(13-11-18)29-24(30)16-22(26(29)31)27-19-7-5-3-2-4-6-8-19/h9-15,19,22,27H,2-8,16H2,1H3