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

Systemtic Name: N-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H17F3N4O2S MolecularWeight: 410.41339

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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)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N4O2S/c19-18(20,21)13-2-1-3-16(12-13)23-8-10-24(11-9-23)17(28)22-14-4-6-15(7-5-14)25(26)27/h1-7,12H,8-11H2,(H,22,28)