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

Systemtic Name: 2-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(3-hexyl-4-oxo-2-quinazolinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(3-hexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3-hexyl-4-keto-quinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O3S/c1-2-3-4-9-14-25-22(29)18-12-7-8-13-19(18)24-23(25)30-15-26-20(27)16-10-5-6-11-17(16)21(26)28/h5-8,10-13H,2-4,9,14-15H2,1H3