N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-4-phenylmethoxy-benzamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Formula: C26H23F3N4O4S MolecularWeight: 544.54543

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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=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23F3N4O4S/c27-26(28,29)20-8-11-22(23(16-20)33(35)36)31-12-14-32(15-13-31)25(38)30-24(34)19-6-9-21(10-7-19)37-17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,30,34,38)