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

Systemtic Name: (5R)-2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-olate Openeye Name: (5R)-2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-(2-thienyl)cyclohexen-1-olate CAS Name: (5R)-2-[2-[4-[ethylamino(sulfanylidene)methyl]-1-piperazinyl]ethyliminomethyl]-3-oxo-5-thiophen-2-yl-1-cyclohexenolate IUPAC Name: (5R)-2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-thiophen-2-ylcyclohexen-1-olate Traditional Name: (5R)-2-[2-[4-(ethylthiocarbamoyl)piperazino]ethyliminomethyl]-3-keto-5-(2-thienyl)cyclohexen-1-olate Formula: C20H27N4O2S2- MolecularWeight: 419.58398

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CCN=CC2=C(CC(CC2=O)C3=CC=CS3)[O-]

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CCN=CC2=C(C[C@H](CC2=O)C3=CC=CS3)[O-]

InChI

InChI=1S/C20H28N4O2S2/c1-2-22-20(27)24-9-7-23(8-10-24)6-5-21-14-16-17(25)12-15(13-18(16)26)19-4-3-11-28-19/h3-4,11,14-15,25H,2,5-10,12-13H2,1H3,(H,22,27)/p-1/t15-/m1/s1