N-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-keto-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]butyl]thiophene-2-carboxamide Formula: C20H21F3N4O4S MolecularWeight: 470.46535

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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)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21F3N4O4S/c21-20(22,23)14-5-6-15(16(13-14)27(30)31)25-8-10-26(11-9-25)18(28)4-1-7-24-19(29)17-3-2-12-32-17/h2-3,5-6,12-13H,1,4,7-11H2,(H,24,29)