(2-oxidanyl-3-piperidin-1-yl-propyl) N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioate

Systemtic Name: (2-oxidanyl-3-piperidin-1-yl-propyl) N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioate Openeye Name: [2-hydroxy-3-(1-piperidyl)propyl] N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioate CAS Name: N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioic acid [2-hydroxy-3-(1-piperidinyl)propyl] ester IUPAC Name: (2-hydroxy-3-piperidin-1-ylpropyl) N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioate Traditional Name: N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioic acid (2-hydroxy-3-piperidino-propyl) ester Formula: C26H33F3N2O2S2 MolecularWeight: 526.67763

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=S)SCC(CN3CCCCC3)O

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=S)SCC(CN3CCCCC3)O

InChI

InChI=1S/C26H33F3N2O2S2/c1-30(25(34)35-19-22(32)18-31-15-6-3-7-16-31)17-14-24(20-8-4-2-5-9-20)33-23-12-10-21(11-13-23)26(27,28)29/h2,4-5,8-13,22,24,32H,3,6-7,14-19H2,1H3