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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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