2-[[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O4S/c1-2-29-13-7-12-24-21(28)17-10-5-6-11-18(17)23-22(24)30-14-25-19(26)15-8-3-4-9-16(15)20(25)27/h3-6,8-11H,2,7,12-14H2,1H3