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

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H19F6N3S MolecularWeight: 447.440379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H19F6N3S/c21-19(22,23)15-10-16(20(24,25)26)12-17(11-15)27-18(30)29-8-6-28(7-9-29)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2,(H,27,30)