4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide Openeye Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-(tetrahydrofuran-2-ylmethyl)cyclohexanecarboxamide CAS Name: 4-[[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-(2-oxolanylmethyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide Traditional Name: 4-[[4-keto-2-[(4-nitrobenzyl)thio]quinazolin-3-yl]methyl]-N-(tetrahydrofurfuryl)cyclohexanecarboxamide Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H32N4O5S/c33-26(29-16-23-4-3-15-37-23)21-11-7-19(8-12-21)17-31-27(34)24-5-1-2-6-25(24)30-28(31)38-18-20-9-13-22(14-10-20)32(35)36/h1-2,5-6,9-10,13-14,19,21,23H,3-4,7-8,11-12,15-18H2,(H,29,33)