3-[2,4-bis(fluoranyl)phenyl]-1-[5-[[4,5-bis(4-methylsulfanylphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-heptyl-urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-[5-[[4,5-bis(4-methylsulfanylphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-heptyl-urea Openeye Name: 1-[5-[[4,5-bis(4-methylsulfanylphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-3-(2,4-difluorophenyl)-1-heptyl-urea CAS Name: 1-[5-[[4,5-bis[4-(methylthio)phenyl]-1H-imidazol-2-yl]thio]pentyl]-3-(2,4-difluorophenyl)-1-heptylurea IUPAC Name: 1-[5-[[4,5-bis(4-methylsulfanylphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-3-(2,4-difluorophenyl)-1-heptylurea Traditional Name: 1-[5-[[4,5-bis[4-(methylthio)phenyl]-1H-imidazol-2-yl]thio]pentyl]-3-(2,4-difluorophenyl)-1-heptyl-urea Formula: C36H44F2N4OS3 MolecularWeight: 682.952566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC(=C(N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)SC)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC(=C(N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)SC)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C36H44F2N4OS3/c1-4-5-6-7-9-22-42(36(43)39-32-21-16-28(37)25-31(32)38)23-10-8-11-24-46-35-40-33(26-12-17-29(44-2)18-13-26)34(41-35)27-14-19-30(45-3)20-15-27/h12-21,25H,4-11,22-24H2,1-3H3,(H,39,43)(H,40,41)