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

Systemtic Name: (5R)-3-oxidanylidene-5-phenyl-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate Openeye Name: (5R)-3-oxo-5-phenyl-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate CAS Name: (5R)-2-[2-[4-[anilino(sulfanylidene)methyl]-1-piperazinyl]ethyliminomethyl]-3-oxo-5-phenyl-1-cyclohexenolate IUPAC Name: (5R)-3-oxo-5-phenyl-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate Traditional Name: (5R)-3-keto-5-phenyl-2-[2-[4-(phenylthiocarbamoyl)piperazino]ethyliminomethyl]cyclohexen-1-olate Formula: C26H29N4O2S- MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN=CC2=C(CC(CC2=O)C3=CC=CC=C3)[O-])C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCN=CC2=C(C[C@H](CC2=O)C3=CC=CC=C3)[O-])C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2S/c31-24-17-21(20-7-3-1-4-8-20)18-25(32)23(24)19-27-11-12-29-13-15-30(16-14-29)26(33)28-22-9-5-2-6-10-22/h1-10,19,21,31H,11-18H2,(H,28,33)/p-1/t21-/m1/s1