3-(2,6-dimethylphenyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,6-dimethylphenyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,6-dimethylphenyl)-2-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,6-dimethylphenyl)-2-[[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(2,6-dimethylphenyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(2,6-dimethylphenyl)-2-[[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4C)C

InChI

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