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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(3-nitrophenyl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(3-nitrobenzyl)thio]-3-phenethyl-quinazolin-4-one Formula: C33H28N4O4S MolecularWeight: 576.66482

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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)SCC5=CC(=CC=C5)[N+](=O)[O-])CCC6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC5=CC(=CC=C5)[N+](=O)[O-])CCC6=CC=CC=C6

InChI

InChI=1S/C33H28N4O4S/c38-31(35-17-16-25-10-4-5-11-27(25)21-35)26-13-14-29-30(20-26)34-33(42-22-24-9-6-12-28(19-24)37(40)41)36(32(29)39)18-15-23-7-2-1-3-8-23/h1-14,19-20H,15-18,21-22H2