3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(p-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4-methylbenzyl)thio]quinazolin-4-one Formula: C24H28N2OS MolecularWeight: 392.55692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2OS/c1-16-11-13-19(14-12-16)15-28-24-25-21-9-5-4-8-20(21)23(27)26(24)22-10-6-7-17(2)18(22)3/h4-5,8-9,11-14,17-18,22H,6-7,10,15H2,1-3H3/t17-,18+,22+/m1/s1