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

Systemtic Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[(1S)-2-keto-1-methyl-2-piperidino-ethyl]thio]quinazolin-4-one Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N4CCCCC4

InChI

InChI=1S/C24H33N3O2S/c1-16-10-9-13-21(17(16)2)27-23(29)19-11-5-6-12-20(19)25-24(27)30-18(3)22(28)26-14-7-4-8-15-26/h5-6,11-12,16-18,21H,4,7-10,13-15H2,1-3H3/t16-,17+,18-,21+/m0/s1