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

Systemtic Name: N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H17BrF3N3S MolecularWeight: 444.31189

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrF3N3S/c19-14-4-6-15(7-5-14)23-17(26)25-10-8-24(9-11-25)16-3-1-2-13(12-16)18(20,21)22/h1-7,12H,8-11H2,(H,23,26)