2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)-2-[(4-vinylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(4-fluorophenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)-2-[(4-vinylbenzyl)thio]quinazolin-4-one Formula: C29H26FN3O2S MolecularWeight: 499.599043

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

C=CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC=C(C=C5)F

InChI

InChI=1S/C29H26FN3O2S/c1-2-20-6-8-21(9-7-20)19-36-29-31-26-18-22(27(34)32-16-4-3-5-17-32)10-15-25(26)28(35)33(29)24-13-11-23(30)12-14-24/h2,6-15,18H,1,3-5,16-17,19H2