N-cyclohexyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide

Systemtic Name: N-cyclohexyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide Openeye Name: N-cyclohexyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]benzamide CAS Name: N-cyclohexyl-4-[[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]benzamide IUPAC Name: N-cyclohexyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]benzamide Traditional Name: N-cyclohexyl-4-[[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]methyl]benzamide Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O4S/c34-27(30-23-8-2-1-3-9-23)22-15-13-20(14-16-22)18-32-28(35)25-11-4-5-12-26(25)31-29(32)38-19-21-7-6-10-24(17-21)33(36)37/h4-7,10-17,23H,1-3,8-9,18-19H2,(H,30,34)