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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-(3,5-dimethoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H28ClN3O4S MolecularWeight: 550.06832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC(=CC=C5)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC(=CC=C5)Cl)OC

InChI

InChI=1S/C29H28ClN3O4S/c1-36-23-15-22(16-24(17-23)37-2)33-28(35)25-10-9-20(27(34)32-11-4-3-5-12-32)14-26(25)31-29(33)38-18-19-7-6-8-21(30)13-19/h6-10,13-17H,3-5,11-12,18H2,1-2H3