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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-4-one Formula: C28H27ClN4O2S MolecularWeight: 519.05758

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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=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H27ClN4O2S/c29-22-12-10-21(11-13-22)20-36-28-30-25-9-5-4-8-24(25)27(35)33(28)15-14-26(34)32-18-16-31(17-19-32)23-6-2-1-3-7-23/h1-13H,14-20H2