2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: 2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: 2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: 2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C18H16FN5O4S MolecularWeight: 417.414143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC)SC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN5O4S/c1-10(16(25)22-17(26)20-2)29-18-21-14-9-13(24(27)28)7-8-15(14)23(18)12-5-3-11(19)4-6-12/h3-10H,1-2H3,(H2,20,22,25,26)