4-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethylthio)phenyl]piperazine-1-carboxamide Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F)OC

InChI

InChI=1S/C20H22F3N3O3S/c1-28-15-5-8-17(18(13-15)29-2)25-9-11-26(12-10-25)19(27)24-14-3-6-16(7-4-14)30-20(21,22)23/h3-8,13H,9-12H2,1-2H3,(H,24,27)