2-[(3-nitrophenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-phenylpiperazino)propyl]-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C28H27N5O4S MolecularWeight: 529.61008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O4S/c34-26(31-17-15-30(16-18-31)22-8-2-1-3-9-22)13-14-32-27(35)24-11-4-5-12-25(24)29-28(32)38-20-21-7-6-10-23(19-21)33(36)37/h1-12,19H,13-18,20H2