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

Systemtic Name: 6-bromanyl-3-[[4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-bromo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]benzyl]-6-bromo-2-thioxo-1H-quinazolin-4-one Formula: C28H25BrN4O3S MolecularWeight: 577.4921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C28H25BrN4O3S/c1-18(34)20-6-9-23(10-7-20)31-12-14-32(15-13-31)26(35)21-4-2-19(3-5-21)17-33-27(36)24-16-22(29)8-11-25(24)30-28(33)37/h2-11,16H,12-15,17H2,1H3,(H,30,37)