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

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(2-oxidanylideneazepan-3-yl)amino]pyrrolidine-2,5-dione Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(2-oxoazepan-3-yl)amino]pyrrolidine-2,5-dione CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(2-oxo-3-azepanyl)amino]pyrrolidine-2,5-dione IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(2-oxoazepan-3-yl)amino]pyrrolidine-2,5-dione Traditional Name: 3-[(2-ketoazepan-3-yl)amino]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-quinone Formula: C24H24N4O3S MolecularWeight: 448.53736

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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)NC5CCCCNC5=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)NC5CCCCNC5=O

InChI

InChI=1S/C24H24N4O3S/c1-14-5-10-17-20(12-14)32-23(27-17)15-6-8-16(9-7-15)28-21(29)13-19(24(28)31)26-18-4-2-3-11-25-22(18)30/h5-10,12,18-19,26H,2-4,11,13H2,1H3,(H,25,30)