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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)-2-(m-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3-fluorophenyl)-2-[(3-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)-2-[(3-methylbenzyl)thio]quinazolin-4-one Formula: C32H26FN3O2S MolecularWeight: 535.631143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C(=O)N2C6=CC(=CC=C6)F

Isomeric SMILES

CC1=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/C32H26FN3O2S/c1-21-6-4-7-22(16-21)20-39-32-34-29-17-24(30(37)35-15-14-23-8-2-3-9-25(23)19-35)12-13-28(29)31(38)36(32)27-11-5-10-26(33)18-27/h2-13,16-18H,14-15,19-20H2,1H3