1-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoyl]-N,N-diethyl-nipecotamide Formula: C18H23ClF3N3OS MolecularWeight: 421.90793

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C18H23ClF3N3OS/c1-3-24(4-2)16(26)12-6-5-9-25(11-12)17(27)23-13-7-8-15(19)14(10-13)18(20,21)22/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,23,27)