2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C20H18Cl2N4O5S MolecularWeight: 497.35172

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18Cl2N4O5S/c1-31-8-2-7-25-19(28)14-5-3-12(21)9-17(14)24-20(25)32-11-18(27)23-16-6-4-13(26(29)30)10-15(16)22/h3-6,9-10H,2,7-8,11H2,1H3,(H,23,27)