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

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)C)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)C)C)C

InChI

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