3-nitro-4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[[2-keto-2-(2-thenylamino)ethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C21H16F3N3O4S2 MolecularWeight: 495.49465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H16F3N3O4S2/c22-21(23,24)15-5-1-2-6-16(15)26-20(29)13-7-8-18(17(10-13)27(30)31)33-12-19(28)25-11-14-4-3-9-32-14/h1-10H,11-12H2,(H,25,28)(H,26,29)