[1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]-(2,4-dimethylphenyl)methanone

Systemtic Name: [1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]-(2,4-dimethylphenyl)methanone Openeye Name: [1-(2-chloro-5-methylsulfanyl-benzoyl)-4-piperidyl]-(2,4-dimethylphenyl)methanone CAS Name: [1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-(2,4-dimethylphenyl)methanone IUPAC Name: [1-(2-chloro-5-methylsulfanylbenzoyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone Traditional Name: [1-[2-chloro-5-(methylthio)benzoyl]-4-piperidyl]-(2,4-dimethylphenyl)methanone Formula: C22H24ClNO2S MolecularWeight: 401.94946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl)C

InChI

InChI=1S/C22H24ClNO2S/c1-14-4-6-18(15(2)12-14)21(25)16-8-10-24(11-9-16)22(26)19-13-17(27-3)5-7-20(19)23/h4-7,12-13,16H,8-11H2,1-3H3