N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-piperonylamide Formula: C20H17F3N4O5S MolecularWeight: 482.43299

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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(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17F3N4O5S/c21-20(22,23)13-2-3-14(15(10-13)27(29)30)25-5-7-26(8-6-25)19(33)24-18(28)12-1-4-16-17(9-12)32-11-31-16/h1-4,9-10H,5-8,11H2,(H,24,28,33)