1-[(2-cyclohexyl-1,3-dithiolan-2-yl)methyl]-1-(2,6-diethyl-4-fluoranyl-phenyl)urea

Systemtic Name: 1-[(2-cyclohexyl-1,3-dithiolan-2-yl)methyl]-1-(2,6-diethyl-4-fluoranyl-phenyl)urea Openeye Name: 1-[(2-cyclohexyl-1,3-dithiolan-2-yl)methyl]-1-(2,6-diethyl-4-fluoro-phenyl)urea CAS Name: 1-[(2-cyclohexyl-1,3-dithiolan-2-yl)methyl]-1-(2,6-diethyl-4-fluorophenyl)urea IUPAC Name: 1-[(2-cyclohexyl-1,3-dithiolan-2-yl)methyl]-1-(2,6-diethyl-4-fluorophenyl)urea Traditional Name: 1-[(2-cyclohexyl-1,3-dithiolan-2-yl)methyl]-1-(2,6-diethyl-4-fluoro-phenyl)urea Formula: C21H31FN2OS2 MolecularWeight: 410.612043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N(CC2(SCCS2)C3CCCCC3)C(=O)N)CC)F

Isomeric SMILES

CCC1=CC(=CC(=C1N(CC2(SCCS2)C3CCCCC3)C(=O)N)CC)F

InChI

InChI=1S/C21H31FN2OS2/c1-3-15-12-18(22)13-16(4-2)19(15)24(20(23)25)14-21(26-10-11-27-21)17-8-6-5-7-9-17/h12-13,17H,3-11,14H2,1-2H3,(H2,23,25)