7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-phenacylsulfanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-phenacylsulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenacylsulfanyl-3-phenyl-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-(phenacylthio)-3-phenyl-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenacylsulfanyl-3-phenylquinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(phenacylthio)-3-phenyl-quinazolin-4-one Formula: C32H25N3O3S MolecularWeight: 531.6242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H25N3O3S/c36-29(23-10-3-1-4-11-23)21-39-32-33-28-19-24(30(37)34-18-17-22-9-7-8-12-25(22)20-34)15-16-27(28)31(38)35(32)26-13-5-2-6-14-26/h1-16,19H,17-18,20-21H2