7-morpholin-4-ylcarbonyl-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one

Systemtic Name: 7-morpholin-4-ylcarbonyl-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 7-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 7-[4-morpholinyl(oxo)methyl]-2-[(3-nitrophenyl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 7-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 7-(morpholine-4-carbonyl)-2-[(3-nitrobenzyl)thio]-3-phenethyl-quinazolin-4-one Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O5S/c33-26(30-13-15-37-16-14-30)22-9-10-24-25(18-22)29-28(38-19-21-7-4-8-23(17-21)32(35)36)31(27(24)34)12-11-20-5-2-1-3-6-20/h1-10,17-18H,11-16,19H2