N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Formula: C19H16F7N3S MolecularWeight: 451.404262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H16F7N3S/c20-15-3-1-2-4-16(15)28-5-7-29(8-6-28)17(30)27-14-10-12(18(21,22)23)9-13(11-14)19(24,25)26/h1-4,9-11H,5-8H2,(H,27,30)