3-(3-chloranyl-4-methyl-phenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(3-chloro-4-methyl-phenyl)quinazolin-4-one CAS Name: 3-(3-chloro-4-methylphenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(3-chloro-4-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-(3-chloro-4-methyl-phenyl)quinazolin-4-one Formula: C29H28ClN3O2S MolecularWeight: 518.06952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H28ClN3O2S/c1-20-11-12-23(18-25(20)30)33-28(35)24-9-5-6-10-26(24)31-29(33)36-19-27(34)32-15-13-22(14-16-32)17-21-7-3-2-4-8-21/h2-12,18,22H,13-17,19H2,1H3