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

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 5-(1,3-benzothiazol-2-yl)-2-benzyl-isoindoline-1,3-dione CAS Name: 5-(1,3-benzothiazol-2-yl)-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-benzylisoindole-1,3-dione Traditional Name: 5-(1,3-benzothiazol-2-yl)-2-benzyl-isoindoline-1,3-quinone Formula: C22H14N2O2S MolecularWeight: 370.42376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

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