2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(3,5-dimethylphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C29H28ClN3O2S/c1-19-14-20(2)16-24(15-19)33-28(35)25-11-8-22(27(34)32-12-4-3-5-13-32)17-26(25)31-29(33)36-18-21-6-9-23(30)10-7-21/h6-11,14-17H,3-5,12-13,18H2,1-2H3