N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-keto-3-p-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H17ClFN3O3S MolecularWeight: 469.915783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)NC2=S

InChI

InChI=1S/C23H17ClFN3O3S/c1-31-16-6-2-13(3-7-16)12-28-22(30)17-8-4-14(10-20(17)27-23(28)32)21(29)26-15-5-9-19(25)18(24)11-15/h2-11H,12H2,1H3,(H,26,29)(H,27,32)