3-(4-methylphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 2-[2-(1-piperidyl)ethylsulfanyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[2-(1-piperidinyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 2-(2-piperidinoethylthio)-3-(p-tolyl)quinazolin-4-one Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN4CCCCC4

InChI

InChI=1S/C22H25N3OS/c1-17-9-11-18(12-10-17)25-21(26)19-7-3-4-8-20(19)23-22(25)27-16-15-24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-16H2,1H3