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

Systemtic Name: 6-bromanyl-3-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H22BrClN4O2S MolecularWeight: 569.90048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrClN4O2S/c27-19-8-9-23-22(14-19)25(34)32(26(35)29-23)16-17-4-6-18(7-5-17)24(33)31-12-10-30(11-13-31)21-3-1-2-20(28)15-21/h1-9,14-15H,10-13,16H2,(H,29,35)