2-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)benzyl]isoindoline-1,3-quinone Formula: C22H14N2O2S MolecularWeight: 370.42376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H14N2O2S/c25-21-16-5-1-2-6-17(16)22(26)24(21)13-14-9-11-15(12-10-14)20-23-18-7-3-4-8-19(18)27-20/h1-12H,13H2