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

Systemtic Name: 2-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C23H22ClN3O3S MolecularWeight: 455.95708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22ClN3O3S/c1-14(2)9-10-27-22(30)18-8-7-15(24)13-19(18)25-23(27)31-12-11-26-20(28)16-5-3-4-6-17(16)21(26)29/h3-8,13-14H,9-12H2,1-2H3