2-[2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O3S/c1-3-14(2)25-21(28)17-10-6-7-11-18(17)23-22(25)29-13-12-24-19(26)15-8-4-5-9-16(15)20(24)27/h4-11,14H,3,12-13H2,1-2H3