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

Systemtic Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: N-(1-benzyl-2-oxo-propyl)-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-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: N-(1-benzyl-2-keto-propyl)-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]acetamide Formula: C26H21F3N4O4S MolecularWeight: 542.52955

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H21F3N4O4S/c1-16(34)21(12-17-6-3-2-4-7-17)30-24(35)15-38-25-31-22-14-20(33(36)37)10-11-23(22)32(25)19-9-5-8-18(13-19)26(27,28)29/h2-11,13-14,21H,12,15H2,1H3,(H,30,35)