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

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(phenylmethyl)amino]pyrrolidine-2,5-dione Openeye Name: 3-(benzylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(phenylmethyl)amino]pyrrolidine-2,5-dione IUPAC Name: 3-(benzylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Traditional Name: 3-(benzylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-quinone Formula: C25H21N3O2S MolecularWeight: 427.51814

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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)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/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/h2-13,21,26H,14-15H2,1H3