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

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-[[1-(phenylcarbamothioyl)piperidin-4-yl]methyliminomethyl]cyclohexen-1-olate Openeye Name: 5,5-dimethyl-3-oxo-2-[[1-(phenylcarbamothioyl)-4-piperidyl]methyliminomethyl]cyclohexen-1-olate CAS Name: 2-[[1-[anilino(sulfanylidene)methyl]-4-piperidinyl]methyliminomethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-oxo-2-[[1-(phenylcarbamothioyl)piperidin-4-yl]methyliminomethyl]cyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[[1-(phenylthiocarbamoyl)-4-piperidyl]methyliminomethyl]cyclohexen-1-olate Formula: C22H28N3O2S- MolecularWeight: 398.54162

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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)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-22(2)12-19(26)18(20(27)13-22)15-23-14-16-8-10-25(11-9-16)21(28)24-17-6-4-3-5-7-17/h3-7,15-16,26H,8-14H2,1-2H3,(H,24,28)/p-1