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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(3-methoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-(3-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClN3O3S/c1-35-23-7-5-6-22(17-23)32-27(34)24-13-10-20(26(33)31-14-3-2-4-15-31)16-25(24)30-28(32)36-18-19-8-11-21(29)12-9-19/h5-13,16-17H,2-4,14-15,18H2,1H3