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

Systemtic Name: 2-[[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3-isobutyl-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:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S/c1-13(2)11-23-20(27)16-9-5-6-10-17(16)22-21(23)28-12-24-18(25)14-7-3-4-8-15(14)19(24)26/h3-10,13H,11-12H2,1-2H3