N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-cyano-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-cyano-4-phenyl-piperidine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyano-4-phenyl-piperidine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyano-4-phenyl-1-piperidinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyano-4-phenylpiperidine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyano-4-phenyl-piperidine-1-carbothioamide Formula: C20H17ClF3N3S MolecularWeight: 423.88229

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H17ClF3N3S/c21-17-7-6-15(12-16(17)20(22,23)24)26-18(28)27-10-8-19(13-25,9-11-27)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,26,28)