4-[2-nitro-4-(trifluoromethyl)phenyl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide Openeye Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(phenylthio)propyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide Traditional Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(phenylthio)propyl]piperazine-1-carboxamide Formula: C21H23F3N4O3S MolecularWeight: 468.49253

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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)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H23F3N4O3S/c22-21(23,24)16-7-8-18(19(15-16)28(30)31)26-10-12-27(13-11-26)20(29)25-9-4-14-32-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2,(H,25,29)