1-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]urea

Systemtic Name: 1-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]urea Openeye Name: 1-(1-cyclohexyl-4-piperidyl)-3-[4-(1,1-dimethylbutylsulfanyl)phenyl]-1-methyl-urea CAS Name: 1-(1-cyclohexyl-4-piperidinyl)-1-methyl-3-[4-(2-methylpentan-2-ylthio)phenyl]urea IUPAC Name: 1-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]urea Traditional Name: 1-(1-cyclohexyl-4-piperidyl)-3-[4-(1,1-dimethylbutylthio)phenyl]-1-methyl-urea Formula: C25H41N3OS MolecularWeight: 431.67754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)C3CCCCC3

Isomeric SMILES

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C25H41N3OS/c1-5-17-25(2,3)30-23-13-11-20(12-14-23)26-24(29)27(4)21-15-18-28(19-16-21)22-9-7-6-8-10-22/h11-14,21-22H,5-10,15-19H2,1-4H3,(H,26,29)