3-(3,5-dimethylphenyl)-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(1R)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[(2R)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[(1R)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C25H29N3O2S/c1-16-9-11-27(12-10-16)23(29)19(4)31-25-26-22-8-6-5-7-21(22)24(30)28(25)20-14-17(2)13-18(3)15-20/h5-8,13-16,19H,9-12H2,1-4H3/t19-/m1/s1