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

Systemtic Name: 7-morpholin-4-ylcarbonyl-2-[(3-nitrophenyl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 7-[4-morpholinyl(oxo)methyl]-2-[(3-nitrophenyl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-7-(morpholine-4-carbonyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C27H24N4O5S MolecularWeight: 516.56826

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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-])CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O5S/c32-25(29-11-13-36-14-12-29)21-9-10-23-24(16-21)28-27(30(26(23)33)17-19-5-2-1-3-6-19)37-18-20-7-4-8-22(15-20)31(34)35/h1-10,15-16H,11-14,17-18H2