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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C(=O)N2C6=CC(=CC=C6)F

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C(=O)N2C6=CC(=CC=C6)F

InChI

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