N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-9-oxo-bicyclo[3.3.1]nonane-3-carboxamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-9-oxo-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-9-keto-bicyclo[3.3.1]nonane-3-carboxamide Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C24H27NO2S/c1-15-6-7-16(2)22(12-15)28-21-10-8-20(9-11-21)25-24(27)19-13-17-4-3-5-18(14-19)23(17)26/h6-12,17-19H,3-5,13-14H2,1-2H3,(H,25,27)