2-[[[1-(3-chlorophenyl)carbothioylpiperidin-4-yl]methylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[[1-(3-chlorophenyl)carbothioylpiperidin-4-yl]methylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[[1-(3-chlorobenzenecarbothioyl)-4-piperidyl]methylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[[1-[(3-chlorophenyl)-sulfanylidenemethyl]-4-piperidinyl]methylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[[1-(3-chlorobenzenecarbothioyl)piperidin-4-yl]methylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[[1-(3-chlorothiobenzoyl)-4-piperidyl]methylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNCC2CCN(CC2)C(=S)C3=CC(=CC=C3)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNCC2CCN(CC2)C(=S)C3=CC(=CC=C3)Cl)C(=O)C1)C

InChI

InChI=1S/C22H27ClN2O2S/c1-22(2)11-19(26)18(20(27)12-22)14-24-13-15-6-8-25(9-7-15)21(28)16-4-3-5-17(23)10-16/h3-5,10,14-15,24H,6-9,11-13H2,1-2H3