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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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