N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-cyclohexylcarbonyl-piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-cyclohexylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[cyclohexyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Formula: C19H23ClF3N3OS MolecularWeight: 433.91863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H23ClF3N3OS/c20-16-7-6-14(12-15(16)19(21,22)23)24-18(28)26-10-8-25(9-11-26)17(27)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,24,28)