4-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide Openeye Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(phenylthio)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide Traditional Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(phenylthio)ethyl]piperazine-1-carboxamide Formula: C20H21F3N4O3S MolecularWeight: 454.46595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H21F3N4O3S/c21-20(22,23)15-6-7-17(18(14-15)27(29)30)25-9-11-26(12-10-25)19(28)24-8-13-31-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,24,28)