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

Systemtic Name: 3-(1-adamantylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Openeye Name: 3-(1-adamantylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione CAS Name: 3-(1-adamantylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione IUPAC Name: 3-(1-adamantylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Traditional Name: 3-(1-adamantylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-quinone Formula: C28H29N3O2S MolecularWeight: 471.61376

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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)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H29N3O2S/c1-16-2-7-22-24(8-16)34-26(29-22)20-3-5-21(6-4-20)31-25(32)12-23(27(31)33)30-28-13-17-9-18(14-28)11-19(10-17)15-28/h2-8,17-19,23,30H,9-15H2,1H3