3-[(3-bromophenyl)methyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(3-bromophenyl)methyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(3-bromophenyl)methyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-bromobenzyl)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-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=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC(=CC=C5)Br

InChI

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