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

Systemtic Name: 5-chloranyl-2-methoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: 5-chloro-2-methoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Formula: C20H18ClF3N4O4S MolecularWeight: 502.89453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClF3N4O4S/c1-32-17-5-3-13(21)11-14(17)18(29)25-19(33)27-8-6-26(7-9-27)15-4-2-12(20(22,23)24)10-16(15)28(30)31/h2-5,10-11H,6-9H2,1H3,(H,25,29,33)