2-[(3-chlorophenyl)methylsulfanyl]-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Formula: C34H31ClN4O2S MolecularWeight: 595.15354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC5=CC(=CC=C5)Cl)CCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC5=CC(=CC=C5)Cl)CCC6=CC=CC=C6

InChI

InChI=1S/C34H31ClN4O2S/c35-28-11-7-10-26(22-28)24-42-34-36-31-23-27(32(40)38-20-18-37(19-21-38)29-12-5-2-6-13-29)14-15-30(31)33(41)39(34)17-16-25-8-3-1-4-9-25/h1-15,22-23H,16-21,24H2