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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)-2-(m-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)-2-[(3-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=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C(=O)N2C6=CC(=CC=C6)OC

Isomeric SMILES

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

InChI

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