7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-fluorophenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-fluorophenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3-fluorophenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)quinazolin-4-one Formula: C31H24FN3O2S MolecularWeight: 521.604563

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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(=N4)SCC5=CC=CC=C5)C6=CC(=CC=C6)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC5=CC=CC=C5)C6=CC(=CC=C6)F

InChI

InChI=1S/C31H24FN3O2S/c32-25-11-6-12-26(18-25)35-30(37)27-14-13-23(29(36)34-16-15-22-9-4-5-10-24(22)19-34)17-28(27)33-31(35)38-20-21-7-2-1-3-8-21/h1-14,17-18H,15-16,19-20H2