(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[3-(trifluoromethyl)phenyl]piperazine-1-carbodithioate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[3-(trifluoromethyl)phenyl]piperazine-1-carbodithioate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[3-(trifluoromethyl)phenyl]piperazine-1-carbodithioate CAS Name: 4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbodithioic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[3-(trifluoromethyl)phenyl]piperazine-1-carbodithioate Traditional Name: 4-[3-(trifluoromethyl)phenyl]piperazine-1-carbodithioic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H22F3N3OS3 MolecularWeight: 545.66259

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H22F3N3OS3/c27-26(28,29)18-6-5-7-19(16-18)30-12-14-31(15-13-30)25(34)35-17-24(33)32-20-8-1-3-10-22(20)36-23-11-4-2-9-21(23)32/h1-11,16H,12-15,17H2