4-(4-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H17F3N4O2S MolecularWeight: 410.41339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=CC=C3C(F)(F)F

InChI

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