3-oxidanylidene-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]inden-1-olate

Systemtic Name: 3-oxidanylidene-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]inden-1-olate Openeye Name: 3-oxo-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]inden-1-olate CAS Name: 2-[2-[4-[anilino(sulfanylidene)methyl]-1-piperazinyl]ethyliminomethyl]-3-oxo-1-indenolate IUPAC Name: 3-oxo-2-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyliminomethyl]inden-1-olate Traditional Name: 3-keto-2-[2-[4-(phenylthiocarbamoyl)piperazino]ethyliminomethyl]inden-1-olate Formula: C23H23N4O2S- MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN=CC2=C(C3=CC=CC=C3C2=O)[O-])C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCN=CC2=C(C3=CC=CC=C3C2=O)[O-])C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c28-21-18-8-4-5-9-19(18)22(29)20(21)16-24-10-11-26-12-14-27(15-13-26)23(30)25-17-6-2-1-3-7-17/h1-9,16,28H,10-15H2,(H,25,30)/p-1