7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(4-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-fluorobenzyl)thio]-3-(4-methoxyphenyl)quinazolin-4-one Formula: C32H26FN3O3S MolecularWeight: 551.630543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC=C(C=C6)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC=C(C=C6)F

InChI

InChI=1S/C32H26FN3O3S/c1-39-27-13-11-26(12-14-27)36-31(38)28-15-8-23(30(37)35-17-16-22-4-2-3-5-24(22)19-35)18-29(28)34-32(36)40-20-21-6-9-25(33)10-7-21/h2-15,18H,16-17,19-20H2,1H3