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

Systemtic Name: N-cyclopropyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide Openeye Name: N-cyclopropyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]benzamide CAS Name: N-cyclopropyl-4-[[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]benzamide Traditional Name: N-cyclopropyl-4-[[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]methyl]benzamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O4S/c31-24(27-20-12-13-20)19-10-8-17(9-11-19)15-29-25(32)22-6-1-2-7-23(22)28-26(29)35-16-18-4-3-5-21(14-18)30(33)34/h1-11,14,20H,12-13,15-16H2,(H,27,31)