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

Systemtic Name: 3-(2-chloranyl-6-methyl-4-methylsulfanyl-pyridin-3-yl)-1-cycloheptyl-1-[[4-(4-fluoranylphenoxy)phenyl]methyl]urea Openeye Name: 3-(2-chloro-6-methyl-4-methylsulfanyl-3-pyridyl)-1-cycloheptyl-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea CAS Name: 3-[2-chloro-6-methyl-4-(methylthio)-3-pyridinyl]-1-cycloheptyl-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea IUPAC Name: 3-(2-chloro-6-methyl-4-methylsulfanylpyridin-3-yl)-1-cycloheptyl-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea Traditional Name: 3-[2-chloro-6-methyl-4-(methylthio)-3-pyridyl]-1-cycloheptyl-1-[4-(4-fluorophenoxy)benzyl]urea Formula: C28H31ClFN3O2S MolecularWeight: 528.081043

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClFN3O2S/c1-19-17-25(36-2)26(27(29)31-19)32-28(34)33(22-7-5-3-4-6-8-22)18-20-9-13-23(14-10-20)35-24-15-11-21(30)12-16-24/h9-17,22H,3-8,18H2,1-2H3,(H,32,34)