N-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-chloro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C20H18ClF3N4O3S MolecularWeight: 486.89513

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClF3N4O3S/c21-13-5-6-15(14(11-13)20(22,23)24)25-19(32)26-18(29)12-4-7-16(17(10-12)28(30)31)27-8-2-1-3-9-27/h4-7,10-11H,1-3,8-9H2,(H2,25,26,29,32)