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

Systemtic Name: 2-pyrrolidin-1-ylethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamodithioate Openeye Name: 2-pyrrolidin-1-ylethyl 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-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-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-pyrrolidinoethyl ester Formula: C24H29F3N2OS2 MolecularWeight: 482.62507

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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)SCCN3CCCC3

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=S)SCCN3CCCC3

InChI

InChI=1S/C24H29F3N2OS2/c1-28(23(31)32-18-17-29-14-5-6-15-29)16-13-22(19-7-3-2-4-8-19)30-21-11-9-20(10-12-21)24(25,26)27/h2-4,7-12,22H,5-6,13-18H2,1H3