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

Systemtic Name: 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-nitrophenyl)-N-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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