N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]-2-phenylacetamide IUPAC Name: N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide Traditional Name: N-[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]-2-phenyl-acetamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c28-21(14-16-7-2-1-3-8-16)25-26-22(29)19-11-4-5-12-20(19)24-23(26)32-15-17-9-6-10-18(13-17)27(30)31/h1-13H,14-15H2,(H,25,28)