5-(1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)isoindole-1,3-dione Openeye Name: 5-(1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)isoindoline-1,3-dione CAS Name: 5-(1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)isoindole-1,3-dione IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)isoindole-1,3-dione Traditional Name: 5-(1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)isoindoline-1,3-quinone Formula: C23H16N2O2S MolecularWeight: 384.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C23H16N2O2S/c1-13-7-10-19(14(2)11-13)25-22(26)16-9-8-15(12-17(16)23(25)27)21-24-18-5-3-4-6-20(18)28-21/h3-12H,1-2H3