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

Systemtic Name: N-(furan-2-ylmethyl)-4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-furylmethyl)-4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-(2-furanylmethyl)-4-[[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-furfuryl)-4-[[4-keto-2-[(4-nitrobenzyl)thio]quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)NCC5=CC=CO5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)NCC5=CC=CO5

InChI

InChI=1S/C28H28N4O5S/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/h1-6,9-10,13-15,19,21H,7-8,11-12,16-18H2,(H,29,33)