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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H28N4O4S MolecularWeight: 528.62202

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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-])CCC5=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-])CCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O4S/c34-27(31-15-5-2-6-16-31)23-12-13-25-26(19-23)30-29(38-20-22-10-7-11-24(18-22)33(36)37)32(28(25)35)17-14-21-8-3-1-4-9-21/h1,3-4,7-13,18-19H,2,5-6,14-17,20H2