1-cycloheptyl-3-(2,6-dimethyl-4-methylsulfanyl-pyridin-3-yl)-1-[[4-(4-fluoranylphenoxy)phenyl]methyl]urea

Systemtic Name: 1-cycloheptyl-3-(2,6-dimethyl-4-methylsulfanyl-pyridin-3-yl)-1-[[4-(4-fluoranylphenoxy)phenyl]methyl]urea Openeye Name: 1-cycloheptyl-3-(2,6-dimethyl-4-methylsulfanyl-3-pyridyl)-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea CAS Name: 1-cycloheptyl-3-[2,6-dimethyl-4-(methylthio)-3-pyridinyl]-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea IUPAC Name: 1-cycloheptyl-3-(2,6-dimethyl-4-methylsulfanylpyridin-3-yl)-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea Traditional Name: 1-cycloheptyl-3-[2,6-dimethyl-4-(methylthio)-3-pyridyl]-1-[4-(4-fluorophenoxy)benzyl]urea Formula: C29H34FN3O2S MolecularWeight: 507.662563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC)NC(=O)N(CC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C4CCCCCC4)C

Isomeric SMILES

CC1=NC(=C(C(=C1)SC)NC(=O)N(CC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C4CCCCCC4)C

InChI

InChI=1S/C29H34FN3O2S/c1-20-18-27(36-3)28(21(2)31-20)32-29(34)33(24-8-6-4-5-7-9-24)19-22-10-14-25(15-11-22)35-26-16-12-23(30)13-17-26/h10-18,24H,4-9,19H2,1-3H3,(H,32,34)