2-[3-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]propyl]isoindoline-1,3-quinone Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H21N3O4S/c1-33-18-9-6-8-17(16-18)29-25(32)21-12-4-5-13-22(21)27-26(29)34-15-7-14-28-23(30)19-10-2-3-11-20(19)24(28)31/h2-6,8-13,16H,7,14-15H2,1H3