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

Systemtic Name: 3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-[3-keto-3-(4-phenylpiperazino)propyl]-2-(phenacylthio)quinazolin-4-one Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3S/c34-26(22-9-3-1-4-10-22)21-37-29-30-25-14-8-7-13-24(25)28(36)33(29)16-15-27(35)32-19-17-31(18-20-32)23-11-5-2-6-12-23/h1-14H,15-21H2