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

Systemtic Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-pentyl-benzamide Openeye Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-pentyl-benzamide CAS Name: 4-[[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-pentylbenzamide IUPAC Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[[4-keto-2-[(4-nitrobenzyl)thio]quinazolin-3-yl]methyl]benzamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4S/c1-2-3-6-17-29-26(33)22-13-9-20(10-14-22)18-31-27(34)24-7-4-5-8-25(24)30-28(31)37-19-21-11-15-23(16-12-21)32(35)36/h4-5,7-16H,2-3,6,17-19H2,1H3,(H,29,33)