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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(3,5-dimethylphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-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=CC=C5Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=CC=C5Cl)C

InChI

InChI=1S/C29H28ClN3O2S/c1-19-14-20(2)16-23(15-19)33-28(35)24-11-10-21(27(34)32-12-6-3-7-13-32)17-26(24)31-29(33)36-18-22-8-4-5-9-25(22)30/h4-5,8-11,14-17H,3,6-7,12-13,18H2,1-2H3