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

Systemtic Name: 2-[1-[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-quinazolin-2-yl]-2-phenyl-ethyl]isoindole-1,3-dione Openeye Name: 2-[1-[3-(1,3-benzothiazol-2-yl)-4-oxo-quinazolin-2-yl]-2-phenyl-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[3-(1,3-benzothiazol-2-yl)-4-oxo-2-quinazolinyl]-2-phenylethyl]isoindole-1,3-dione IUPAC Name: 2-[1-[3-(1,3-benzothiazol-2-yl)-4-oxoquinazolin-2-yl]-2-phenylethyl]isoindole-1,3-dione Traditional Name: 2-[1-[3-(1,3-benzothiazol-2-yl)-4-keto-quinazolin-2-yl]-2-phenyl-ethyl]isoindoline-1,3-quinone Formula: C31H20N4O3S MolecularWeight: 528.5805

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3C(=O)N2C4=NC5=CC=CC=C5S4)N6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3C(=O)N2C4=NC5=CC=CC=C5S4)N6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C31H20N4O3S/c36-28-20-12-4-5-13-21(20)29(37)34(28)25(18-19-10-2-1-3-11-19)27-32-23-15-7-6-14-22(23)30(38)35(27)31-33-24-16-8-9-17-26(24)39-31/h1-17,25H,18H2