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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C18H16ClF4N3S MolecularWeight: 417.851353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H16ClF4N3S/c19-16-6-3-13(11-15(16)18(21,22)23)24-17(27)26-9-7-25(8-10-26)14-4-1-12(20)2-5-14/h1-6,11H,7-10H2,(H,24,27)