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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4)C

InChI

InChI=1S/C23H25N3O2S/c1-16-12-17(2)14-18(13-16)26-22(28)19-8-4-5-9-20(19)24-23(26)29-15-21(27)25-10-6-3-7-11-25/h4-5,8-9,12-14H,3,6-7,10-11,15H2,1-2H3