2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H25N3O3S/c1-2-3-4-9-14-27-23(30)19-12-7-8-13-20(19)25-24(27)31-16-15-26-21(28)17-10-5-6-11-18(17)22(26)29/h5-8,10-13H,2-4,9,14-16H2,1H3