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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br)F

InChI

InChI=1S/C23H17BrFN3O2S/c1-13-5-7-17(11-19(13)25)26-21(29)15-6-8-18-20(10-15)27-23(31)28(22(18)30)12-14-3-2-4-16(24)9-14/h2-11H,12H2,1H3,(H,26,29)(H,27,31)