7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)-2-(p-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)-2-[(4-methylbenzyl)thio]quinazolin-4-one Formula: C34H31N3O2S MolecularWeight: 545.69384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H31N3O2S/c1-22-8-10-25(11-9-22)21-40-34-35-31-19-27(32(38)36-15-14-26-6-4-5-7-28(26)20-36)12-13-30(31)33(39)37(34)29-17-23(2)16-24(3)18-29/h4-13,16-19H,14-15,20-21H2,1-3H3