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

Systemtic Name: 6-bromanyl-3-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H25BrN4O3S MolecularWeight: 565.4814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C27H25BrN4O3S/c1-35-22-9-7-21(8-10-22)30-12-14-31(15-13-30)25(33)19-4-2-18(3-5-19)17-32-26(34)23-16-20(28)6-11-24(23)29-27(32)36/h2-11,16H,12-15,17H2,1H3,(H,29,36)