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

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-piperazine-1-carbothioamide Formula: C19H17F6N3S MolecularWeight: 433.413799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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