7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3,5-dimethylphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3,5-dimethylphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3,5-dimethylphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C33H29N3O2S MolecularWeight: 531.66726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC=CC=C6)C

InChI

InChI=1S/C33H29N3O2S/c1-22-16-23(2)18-28(17-22)36-32(38)29-13-12-26(31(37)35-15-14-25-10-6-7-11-27(25)20-35)19-30(29)34-33(36)39-21-24-8-4-3-5-9-24/h3-13,16-19H,14-15,20-21H2,1-2H3