1-(2-butylsulfanylethyl)-1-(4-cyclohexylcyclohexyl)-3-(2,6-dimethylphenyl)urea

Systemtic Name: 1-(2-butylsulfanylethyl)-1-(4-cyclohexylcyclohexyl)-3-(2,6-dimethylphenyl)urea Openeye Name: 1-(2-butylsulfanylethyl)-1-(4-cyclohexylcyclohexyl)-3-(2,6-dimethylphenyl)urea CAS Name: 1-[2-(butylthio)ethyl]-1-(4-cyclohexylcyclohexyl)-3-(2,6-dimethylphenyl)urea IUPAC Name: 1-(2-butylsulfanylethyl)-1-(4-cyclohexylcyclohexyl)-3-(2,6-dimethylphenyl)urea Traditional Name: 1-[2-(butylthio)ethyl]-1-(4-cyclohexylcyclohexyl)-3-(2,6-dimethylphenyl)urea Formula: C27H44N2OS MolecularWeight: 444.71606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCN(C1CCC(CC1)C2CCCCC2)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCSCCN(C1CCC(CC1)C2CCCCC2)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C27H44N2OS/c1-4-5-19-31-20-18-29(27(30)28-26-21(2)10-9-11-22(26)3)25-16-14-24(15-17-25)23-12-7-6-8-13-23/h9-11,23-25H,4-8,12-20H2,1-3H3,(H,28,30)