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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(4-nitrobenzyl)thio]-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O5S/c1-37-23-7-5-6-22(17-23)31-27(34)24-13-10-20(26(33)30-14-3-2-4-15-30)16-25(24)29-28(31)38-18-19-8-11-21(12-9-19)32(35)36/h5-13,16-17H,2-4,14-15,18H2,1H3