3-nitro-4-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[2-pyrrolidino-5-(trifluoromethyl)anilino]ethyl]thio]-3-nitro-benzamide Formula: C20H19F3N4O4S MolecularWeight: 468.44947

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N4O4S/c21-20(22,23)13-4-5-15(26-7-1-2-8-26)14(10-13)25-18(28)11-32-17-6-3-12(19(24)29)9-16(17)27(30)31/h3-6,9-10H,1-2,7-8,11H2,(H2,24,29)(H,25,28)