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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-4-quinazolinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3-[4-keto-4-(4-phenylpiperazino)butyl]quinazolin-4-one Formula: C29H29ClN4O2S MolecularWeight: 533.08416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5Cl

InChI

InChI=1S/C29H29ClN4O2S/c30-25-13-6-4-9-22(25)21-37-29-31-26-14-7-5-12-24(26)28(36)34(29)16-8-15-27(35)33-19-17-32(18-20-33)23-10-2-1-3-11-23/h1-7,9-14H,8,15-21H2