N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]-N-(4-morpholinosulfonylphenyl)acetamide Formula: C29H30N4O5S2 MolecularWeight: 578.7023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O5S2/c1-20(2)21-7-11-23(12-8-21)33-28(35)25-5-3-4-6-26(25)31-29(33)39-19-27(34)30-22-9-13-24(14-10-22)40(36,37)32-15-17-38-18-16-32/h3-14,20H,15-19H2,1-2H3,(H,30,34)