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

Systemtic Name: 6-bromanyl-3-[[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-6-bromo-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(4-benzylpiperidine-1-carbonyl)benzyl]-6-bromo-2-thioxo-1H-quinazolin-4-one Formula: C28H26BrN3O2S MolecularWeight: 548.49394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C28H26BrN3O2S/c29-23-10-11-25-24(17-23)27(34)32(28(35)30-25)18-21-6-8-22(9-7-21)26(33)31-14-12-20(13-15-31)16-19-4-2-1-3-5-19/h1-11,17,20H,12-16,18H2,(H,30,35)