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

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-(4-fluorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H17BrFN3O2S MolecularWeight: 498.367383

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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)NCC4=CC=C(C=C4)F)NC2=S

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)NC2=S

InChI

InChI=1S/C23H17BrFN3O2S/c24-17-3-1-2-15(10-17)13-28-22(30)19-9-6-16(11-20(19)27-23(28)31)21(29)26-12-14-4-7-18(25)8-5-14/h1-11H,12-13H2,(H,26,29)(H,27,31)