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

Systemtic Name: 3-(cyclohexylmethylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Openeye Name: 3-(cyclohexylmethylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione CAS Name: 3-(cyclohexylmethylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione IUPAC Name: 3-(cyclohexylmethylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Traditional Name: 3-(cyclohexylmethylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-quinone Formula: C25H27N3O2S MolecularWeight: 433.56578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)NCC5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)NCC5CCCCC5

InChI

InChI=1S/C25H27N3O2S/c1-16-7-12-20-22(13-16)31-24(27-20)18-8-10-19(11-9-18)28-23(29)14-21(25(28)30)26-15-17-5-3-2-4-6-17/h7-13,17,21,26H,2-6,14-15H2,1H3