2-[2-[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-(1,3-benzothiazol-2-yl)-4-oxo-quinazolin-2-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-(1,3-benzothiazol-2-yl)-4-oxo-2-quinazolinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-(1,3-benzothiazol-2-yl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-(1,3-benzothiazol-2-yl)-4-keto-quinazolin-2-yl]ethyl]isoindoline-1,3-quinone Formula: C25H16N4O3S MolecularWeight: 452.48454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC4=CC=CC=C4C(=O)N3C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC4=CC=CC=C4C(=O)N3C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H16N4O3S/c30-22-15-7-1-2-8-16(15)23(31)28(22)14-13-21-26-18-10-4-3-9-17(18)24(32)29(21)25-27-19-11-5-6-12-20(19)33-25/h1-12H,13-14H2