2-[[1-[(3-chlorophenyl)carbamothioyl]piperidin-4-yl]methyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[[1-[(3-chlorophenyl)carbamothioyl]piperidin-4-yl]methyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[[1-[(3-chlorophenyl)carbamothioyl]-4-piperidyl]methyliminomethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[[1-[(3-chloroanilino)-sulfanylidenemethyl]-4-piperidinyl]methyliminomethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[[1-[(3-chlorophenyl)carbamothioyl]piperidin-4-yl]methyliminomethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[[1-[(3-chlorophenyl)thiocarbamoyl]-4-piperidyl]methyliminomethyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C22H27ClN3O2S- MolecularWeight: 432.98668

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NCC2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NCC2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl)[O-])C

InChI

InChI=1S/C22H28ClN3O2S/c1-22(2)11-19(27)18(20(28)12-22)14-24-13-15-6-8-26(9-7-15)21(29)25-17-5-3-4-16(23)10-17/h3-5,10,14-15,27H,6-9,11-13H2,1-2H3,(H,25,29)/p-1