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

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate Openeye Name: 5,5-dimethyl-3-oxo-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate CAS Name: 2-[2-[4-[anilino(sulfanylidene)methyl]-1-piperazinyl]ethyliminomethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-oxo-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[2-[4-(phenylthiocarbamoyl)piperazino]ethyliminomethyl]cyclohexen-1-olate Formula: C22H29N4O2S- MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NCCN2CCN(CC2)C(=S)NC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C22H30N4O2S/c1-22(2)14-19(27)18(20(28)15-22)16-23-8-9-25-10-12-26(13-11-25)21(29)24-17-6-4-3-5-7-17/h3-7,16,27H,8-15H2,1-2H3,(H,24,29)/p-1