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

Systemtic Name: 6-bromanyl-3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-bromo-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(4-benzylpiperazine-1-carbonyl)benzyl]-6-bromo-2-thioxo-1H-quinazolin-4-one Formula: C27H25BrN4O2S MolecularWeight: 549.482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C27H25BrN4O2S/c28-22-10-11-24-23(16-22)26(34)32(27(35)29-24)18-20-6-8-21(9-7-20)25(33)31-14-12-30(13-15-31)17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,29,35)