6-bromanyl-3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H20BrN3O2S MolecularWeight: 506.4142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C25H20BrN3O2S/c26-20-9-10-22-21(13-20)24(31)29(25(32)27-22)14-16-5-7-18(8-6-16)23(30)28-12-11-17-3-1-2-4-19(17)15-28/h1-10,13H,11-12,14-15H2,(H,27,32)