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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)-2-(o-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)-2-[(2-methylbenzyl)thio]quinazolin-4-one Formula: C33H29N3O3S MolecularWeight: 547.66666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C(=O)N2C6=CC(=CC=C6)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C(=O)N2C6=CC(=CC=C6)OC

InChI

InChI=1S/C33H29N3O3S/c1-22-8-3-4-11-26(22)21-40-33-34-30-18-24(31(37)35-17-16-23-9-5-6-10-25(23)20-35)14-15-29(30)32(38)36(33)27-12-7-13-28(19-27)39-2/h3-15,18-19H,16-17,20-21H2,1-2H3