2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Formula: C34H31N5O4S MolecularWeight: 605.70604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)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(CCN1C2=CC=CC=C2)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/C34H31N5O4S/c40-32(37-20-18-36(19-21-37)28-11-5-2-6-12-28)27-14-15-30-31(23-27)35-34(44-24-26-10-7-13-29(22-26)39(42)43)38(33(30)41)17-16-25-8-3-1-4-9-25/h1-15,22-23H,16-21,24H2