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

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S/c1-2-3-12-23-20(27)16-10-6-7-11-17(16)22-21(23)28-13-24-18(25)14-8-4-5-9-15(14)19(24)26/h4-11H,2-3,12-13H2,1H3