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

Systemtic Name: (2-oxidanyl-3-pyrrolidin-1-yl-propyl) N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioate Openeye Name: (2-hydroxy-3-pyrrolidin-1-yl-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-pyrrolidinyl)propyl] ester IUPAC Name: (2-hydroxy-3-pyrrolidin-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-pyrrolidino-propyl) ester Formula: C25H31F3N2O2S2 MolecularWeight: 512.65105

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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(CN3CCCC3)O

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=S)SCC(CN3CCCC3)O

InChI

InChI=1S/C25H31F3N2O2S2/c1-29(24(33)34-18-21(31)17-30-14-5-6-15-30)16-13-23(19-7-3-2-4-8-19)32-22-11-9-20(10-12-22)25(26,27)28/h2-4,7-12,21,23,31H,5-6,13-18H2,1H3