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

Systemtic Name: 2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[2-[4-[ethylamino(sulfanylidene)methyl]-1-piperazinyl]ethyliminomethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[2-[4-(ethylthiocarbamoyl)piperazino]ethyliminomethyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C18H29N4O2S- MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CCN=CC2=C(CC(CC2=O)(C)C)[O-]

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CCN=CC2=C(CC(CC2=O)(C)C)[O-]

InChI

InChI=1S/C18H30N4O2S/c1-4-20-17(25)22-9-7-21(8-10-22)6-5-19-13-14-15(23)11-18(2,3)12-16(14)24/h13,23H,4-12H2,1-3H3,(H,20,25)/p-1