[2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate

Systemtic Name: [2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate Openeye Name: [2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C19H25F3N4O2S2 MolecularWeight: 462.55261

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

Isomeric SMILES

CN1CCN(CC1)C(=S)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

InChI

InChI=1S/C19H25F3N4O2S2/c1-24-4-6-26(7-5-24)18(29)30-13-17(27)23-15-12-14(19(20,21)22)2-3-16(15)25-8-10-28-11-9-25/h2-3,12H,4-11,13H2,1H3,(H,23,27)