7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-methoxyphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-methoxyphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3-methoxyphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxyphenyl)quinazolin-4-one Formula: C32H27N3O3S MolecularWeight: 533.64008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC=CC=C6

InChI

InChI=1S/C32H27N3O3S/c1-38-27-13-7-12-26(19-27)35-31(37)28-15-14-24(30(36)34-17-16-23-10-5-6-11-25(23)20-34)18-29(28)33-32(35)39-21-22-8-3-2-4-9-22/h2-15,18-19H,16-17,20-21H2,1H3