2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(2-isopropylphenyl)quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-o-cumenyl-quinazolin-4-one Formula: C26H31N3O2S MolecularWeight: 449.60824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C)C

InChI

InChI=1S/C26H31N3O2S/c1-17(2)20-9-6-8-12-23(20)29-25(31)21-10-5-7-11-22(21)27-26(29)32-16-24(30)28-14-18(3)13-19(4)15-28/h5-12,17-19H,13-16H2,1-4H3