2-[3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H19N3O3S/c26-19-15-6-1-2-7-16(15)20(27)24(19)12-5-13-29-22-23-18-9-4-3-8-17(18)21(28)25(22)14-10-11-14/h1-4,6-9,14H,5,10-13H2