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

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-4-phenyl-benzamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-4-phenyl-benzamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-4-phenylbenzamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-4-phenyl-benzamide Formula: C25H21F3N4O3S MolecularWeight: 514.51945

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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)C4=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)C4=CC=CC=C4

InChI

InChI=1S/C25H21F3N4O3S/c26-25(27,28)20-10-11-21(22(16-20)32(34)35)30-12-14-31(15-13-30)24(36)29-23(33)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,29,33,36)