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

Systemtic Name: 1-[(2,6-dimethylphenyl)methyl]-1-[[4-(4-fluoranylphenoxy)phenyl]methyl]-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]urea Openeye Name: 1-[(2,6-dimethylphenyl)methyl]-1-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]urea CAS Name: 1-[(2,6-dimethylphenyl)methyl]-1-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]urea IUPAC Name: 1-[(2,6-dimethylphenyl)methyl]-1-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]urea Traditional Name: 1-(2,6-dimethylbenzyl)-1-[4-(4-fluorophenoxy)benzyl]-3-[6-methyl-2,4-bis(methylthio)-3-pyridyl]urea Formula: C31H32FN3O2S2 MolecularWeight: 561.733083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CN(CC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C(=O)NC4=C(N=C(C=C4SC)C)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)CN(CC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C(=O)NC4=C(N=C(C=C4SC)C)SC

InChI

InChI=1S/C31H32FN3O2S2/c1-20-7-6-8-21(2)27(20)19-35(31(36)34-29-28(38-4)17-22(3)33-30(29)39-5)18-23-9-13-25(14-10-23)37-26-15-11-24(32)12-16-26/h6-17H,18-19H2,1-5H3,(H,34,36)