3-(4-fluorophenyl)-2-methylsulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[3-(2-oxo-1-azepanyl)propyl]-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[3-(2-ketoazepan-1-yl)propyl]-2-(methylthio)imidazole-4-carboxamide Formula: C20H25FN4O2S MolecularWeight: 404.501503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C20H25FN4O2S/c1-28-20-23-14-17(25(20)16-9-7-15(21)8-10-16)19(27)22-11-5-13-24-12-4-2-3-6-18(24)26/h7-10,14H,2-6,11-13H2,1H3,(H,22,27)