3-[2,4-bis(fluoranyl)phenyl]-1-[5-(1,4-diphenylimidazol-2-yl)sulfanylpentyl]-1-heptyl-urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-[5-(1,4-diphenylimidazol-2-yl)sulfanylpentyl]-1-heptyl-urea Openeye Name: 3-(2,4-difluorophenyl)-1-[5-(1,4-diphenylimidazol-2-yl)sulfanylpentyl]-1-heptyl-urea CAS Name: 3-(2,4-difluorophenyl)-1-[5-[(1,4-diphenyl-2-imidazolyl)thio]pentyl]-1-heptylurea IUPAC Name: 3-(2,4-difluorophenyl)-1-[5-(1,4-diphenylimidazol-2-yl)sulfanylpentyl]-1-heptylurea Traditional Name: 3-(2,4-difluorophenyl)-1-[5-[(1,4-diphenylimidazol-2-yl)thio]pentyl]-1-heptyl-urea Formula: C34H40F2N4OS MolecularWeight: 590.769406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC(=CN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC(=CN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-39(33(41)37-31-21-20-28(35)25-30(31)36)23-14-8-15-24-42-34-38-32(27-16-9-6-10-17-27)26-40(34)29-18-11-7-12-19-29/h6-7,9-12,16-21,25-26H,2-5,8,13-15,22-24H2,1H3,(H,37,41)