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

Systemtic Name: 3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-[4-keto-4-(4-phenylpiperazino)butyl]-2-(phenacylthio)quinazolin-4-one Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H30N4O3S/c35-27(23-10-3-1-4-11-23)22-38-30-31-26-15-8-7-14-25(26)29(37)34(30)17-9-16-28(36)33-20-18-32(19-21-33)24-12-5-2-6-13-24/h1-8,10-15H,9,16-22H2