3-(3-methoxyphenyl)-7-morpholin-4-ylcarbonyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-methoxyphenyl)-7-morpholin-4-ylcarbonyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-7-[4-morpholinyl(oxo)methyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O6S/c1-36-22-7-3-5-20(16-22)30-26(33)23-9-8-19(25(32)29-10-12-37-13-11-29)15-24(23)28-27(30)38-17-18-4-2-6-21(14-18)31(34)35/h2-9,14-16H,10-13,17H2,1H3