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

Systemtic Name: 3-cyclohexyl-7-morpholin-4-ylcarbonyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclohexyl-7-[4-morpholinyl(oxo)methyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O5S/c31-24(28-11-13-35-14-12-28)19-9-10-22-23(16-19)27-26(29(25(22)32)20-6-2-1-3-7-20)36-17-18-5-4-8-21(15-18)30(33)34/h4-5,8-10,15-16,20H,1-3,6-7,11-14,17H2