(4-chloranyl-2-methyl-phenyl)-[1-(4-methylsulfanylphenyl)carbonylpiperidin-3-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[1-(4-methylsulfanylphenyl)carbonylpiperidin-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[1-(4-methylsulfanylbenzoyl)-3-piperidyl]methanone CAS Name: (4-chloro-2-methylphenyl)-[1-[[4-(methylthio)phenyl]-oxomethyl]-3-piperidinyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[1-[4-(methylthio)benzoyl]-3-piperidyl]methanone Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22ClNO2S/c1-14-12-17(22)7-10-19(14)20(24)16-4-3-11-23(13-16)21(25)15-5-8-18(26-2)9-6-15/h5-10,12,16H,3-4,11,13H2,1-2H3