2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]acetamide Formula: C20H16F3N5O4S MolecularWeight: 479.43235

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NC2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NC2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H16F3N5O4S/c1-2-8-24-18(30)26-17(29)11-33-19-25-15-10-14(28(31)32)6-7-16(15)27(19)13-5-3-4-12(9-13)20(21,22)23/h2-7,9-10H,1,8,11H2,(H2,24,26,29,30)