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

Systemtic Name: 2-[3-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]propyl]isoindoline-1,3-quinone Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O4S/c1-30-14-6-12-26-22(29)18-10-4-5-11-19(18)24-23(26)31-15-7-13-25-20(27)16-8-2-3-9-17(16)21(25)28/h2-5,8-11H,6-7,12-15H2,1H3