4-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-3-nitrobenzamide IUPAC Name: 4-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]-3-nitro-benzamide Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S/c1-31-15-6-4-5-14(12-15)25-21(28)16-7-2-3-8-17(16)24-22(25)32-19-10-9-13(20(23)27)11-18(19)26(29)30/h2-12H,1H3,(H2,23,27)