3-(3-morpholin-4-ylpropyl)-2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ylpropyl)-2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-morpholinopropyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[3-(4-morpholinyl)propyl]-2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ylpropyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[(2-keto-2-mesityl-ethyl)thio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4)C

InChI

InChI=1S/C26H31N3O3S/c1-18-15-19(2)24(20(3)16-18)23(30)17-33-26-27-22-8-5-4-7-21(22)25(31)29(26)10-6-9-28-11-13-32-14-12-28/h4-5,7-8,15-16H,6,9-14,17H2,1-3H3