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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(2-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=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5Cl

InChI

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