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

Systemtic Name: 3-cyclohexyl-2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-[2-[(3R,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclohexyl-2-[[2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclohexyl-2-[[2-[(3R,5S)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4)C

InChI

InChI=1S/C23H31N3O2S/c1-16-12-17(2)14-25(13-16)21(27)15-29-23-24-20-11-7-6-10-19(20)22(28)26(23)18-8-4-3-5-9-18/h6-7,10-11,16-18H,3-5,8-9,12-15H2,1-2H3/t16-,17+