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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c26-21-19-11-5-6-12-20(19)23-22(25(21)17-18-9-3-1-4-10-18)27-16-15-24-13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-17H2