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

Systemtic Name: (5S)-2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5S)-2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5S)-2-[2-[4-[ethylamino(sulfanylidene)methyl]-1-piperazinyl]ethyliminomethyl]-3-oxo-5-phenyl-1-cyclohexenolate IUPAC Name: (5S)-2-[2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5S)-2-[2-[4-(ethylthiocarbamoyl)piperazino]ethyliminomethyl]-3-keto-5-phenyl-cyclohexen-1-olate Formula: C22H29N4O2S- MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-2-24-22(29)26-12-10-25(11-13-26)9-8-23-16-19-20(27)14-18(15-21(19)28)17-6-4-3-5-7-17/h3-7,16,18,27H,2,8-15H2,1H3,(H,24,29)/p-1/t18-/m0/s1