6-bromanyl-3-(4-phenylmethoxyphenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(4-phenylmethoxyphenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(4-benzyloxybenzoyl)-6-bromo-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[oxo-(4-phenylmethoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-(4-phenylmethoxybenzoyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-benzoxybenzoyl)-6-bromo-2-thioxo-1H-quinazolin-4-one Formula: C22H15BrN2O3S MolecularWeight: 467.3351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C22H15BrN2O3S/c23-16-8-11-19-18(12-16)21(27)25(22(29)24-19)20(26)15-6-9-17(10-7-15)28-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,29)