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

Systemtic Name: N,4-bis[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N,4-bis[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N,4-bis[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N,4-bis[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N,4-bis[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C19H17F6N3S MolecularWeight: 433.413799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F6N3S/c20-18(21,22)13-3-1-5-15(11-13)26-17(29)28-9-7-27(8-10-28)16-6-2-4-14(12-16)19(23,24)25/h1-6,11-12H,7-10H2,(H,26,29)