5,5-dimethyl-2-[C-methyl-N-[2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]carbonimidoyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-2-[C-methyl-N-[2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]carbonimidoyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 5,5-dimethyl-2-[C-methyl-N-[2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]carbonimidoyl]-3-oxo-cyclohexen-1-olate CAS Name: 2-[1-[2-[4-[anilino(sulfanylidene)methyl]-1-piperazin-1-iumyl]ethylimino]ethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-2-[C-methyl-N-[2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]carbonimidoyl]-3-oxocyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[C-methyl-N-[2-[4-(phenylthiocarbamoyl)piperazin-1-ium-1-yl]ethyl]carbonimidoyl]cyclohexen-1-olate Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCC[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2)C3=C(CC(CC3=O)(C)C)[O-]

Isomeric SMILES

CC(=NCC[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2)C3=C(CC(CC3=O)(C)C)[O-]

InChI

InChI=1S/C23H32N4O2S/c1-17(21-19(28)15-23(2,3)16-20(21)29)24-9-10-26-11-13-27(14-12-26)22(30)25-18-7-5-4-6-8-18/h4-8,28H,9-16H2,1-3H3,(H,25,30)