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

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,4-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=CC(=C(C=C4)C)C)C

Isomeric SMILES

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

InChI

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