N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylnaphthalene-1-carboxamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylnaphthalene-1-carboxamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1-naphthamide Formula: C23H19F3N4O3S MolecularWeight: 488.48217

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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=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H19F3N4O3S/c24-23(25,26)16-8-9-19(20(14-16)30(32)33)28-10-12-29(13-11-28)22(34)27-21(31)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,27,31,34)