2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4S/c32-25(29-14-5-2-6-15-29)20-12-13-23-24(17-20)28-27(30(26(23)33)21-9-3-1-4-10-21)36-18-19-8-7-11-22(16-19)31(34)35/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2