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

Systemtic Name: 2-piperidin-1-ylethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioate Openeye Name: 2-(1-piperidyl)ethyl 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-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 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-piperidinoethyl ester Formula: C25H31F3N2OS2 MolecularWeight: 496.65165

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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)SCCN3CCCCC3

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=S)SCCN3CCCCC3

InChI

InChI=1S/C25H31F3N2OS2/c1-29(24(32)33-19-18-30-15-6-3-7-16-30)17-14-23(20-8-4-2-5-9-20)31-22-12-10-21(11-13-22)25(26,27)28/h2,4-5,8-13,23H,3,6-7,14-19H2,1H3