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

Systemtic Name: 3-cyclohexyl-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclohexyl-2-[[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-cyclohexyl-2-[[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

InChI

InChI=1S/C23H31N3O2S/c1-16-12-14-25(15-13-16)21(27)17(2)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