2-[3-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20ClN3O3S/c1-2-10-26-21(29)17-9-8-14(23)13-18(17)24-22(26)30-12-5-11-25-19(27)15-6-3-4-7-16(15)20(25)28/h3-4,6-9,13H,2,5,10-12H2,1H3