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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-chlorobenzyl)-3-(3-chloro-4-fluoro-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H14Cl2FN3O2S MolecularWeight: 474.334863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl)Cl

InChI

InChI=1S/C22H14Cl2FN3O2S/c23-14-4-1-12(2-5-14)11-26-20(29)13-3-7-16-19(9-13)27-22(31)28(21(16)30)15-6-8-18(25)17(24)10-15/h1-10H,11H2,(H,26,29)(H,27,31)