3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-(4-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H15BrFN3O2S MolecularWeight: 484.340803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrFN3O2S/c23-15-3-1-2-13(10-15)12-27-21(29)18-9-4-14(11-19(18)26-22(27)30)20(28)25-17-7-5-16(24)6-8-17/h1-11H,12H2,(H,25,28)(H,26,30)