3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4

InChI

InChI=1S/C23H31N3O2S/c1-16-9-8-12-20(17(16)2)26-22(28)18-10-4-5-11-19(18)24-23(26)29-15-21(27)25-13-6-3-7-14-25/h4-5,10-11,16-17,20H,3,6-9,12-15H2,1-2H3/t16-,17+,20+/m0/s1