N-(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-methyl-2-morpholinosulfonyl-phenyl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-methyl-2-(4-morpholinylsulfonyl)phenyl]-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methyl-2-morpholin-4-ylsulfonylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-(4-methyl-2-morpholinosulfonyl-phenyl)acetamide Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C28H28N4O5S2/c1-19-7-10-21(11-8-19)32-27(34)22-5-3-4-6-23(22)30-28(32)38-18-26(33)29-24-12-9-20(2)17-25(24)39(35,36)31-13-15-37-16-14-31/h3-12,17H,13-16,18H2,1-2H3,(H,29,33)