6-bromanyl-3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H22BrFN4O2S MolecularWeight: 553.445883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C26H22BrFN4O2S/c27-19-5-10-23-22(15-19)25(34)32(26(35)29-23)16-17-1-3-18(4-2-17)24(33)31-13-11-30(12-14-31)21-8-6-20(28)7-9-21/h1-10,15H,11-14,16H2,(H,29,35)