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

Systemtic Name: (5S)-3-oxidanylidene-5-phenyl-2-[2-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate Openeye Name: (5S)-2-[2-[4-(allylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5S)-3-oxo-5-phenyl-2-[2-[4-[(prop-2-enylamino)-sulfanylidenemethyl]-1-piperazinyl]ethyliminomethyl]-1-cyclohexenolate IUPAC Name: (5S)-3-oxo-5-phenyl-2-[2-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]cyclohexen-1-olate Traditional Name: (5S)-2-[2-[4-(allylthiocarbamoyl)piperazino]ethyliminomethyl]-3-keto-5-phenyl-cyclohexen-1-olate Formula: C23H29N4O2S- MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-2-8-25-23(30)27-13-11-26(12-14-27)10-9-24-17-20-21(28)15-19(16-22(20)29)18-6-4-3-5-7-18/h2-7,17,19,28H,1,8-16H2,(H,25,30)/p-1/t19-/m0/s1