3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1R)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1R)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1R)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[(1R)-2-oxocyclohexyl]thio]-4-quinazolinone IUPAC Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1R)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[(1R)-2-ketocyclohexyl]thio]quinazolin-4-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H]4CCCCC4=O

InChI

InChI=1S/C22H28N2O2S/c1-14-8-7-11-18(15(14)2)24-21(26)16-9-3-4-10-17(16)23-22(24)27-20-13-6-5-12-19(20)25/h3-4,9-10,14-15,18,20H,5-8,11-13H2,1-2H3/t14-,15+,18+,20+/m0/s1