1-(2-methylsulfanyl-6-oxidanyl-phenyl)-3-pentyl-urea

Systemtic Name: 1-(2-methylsulfanyl-6-oxidanyl-phenyl)-3-pentyl-urea Openeye Name: 1-(2-hydroxy-6-methylsulfanyl-phenyl)-3-pentyl-urea CAS Name: 1-[2-hydroxy-6-(methylthio)phenyl]-3-pentylurea IUPAC Name: 1-(2-hydroxy-6-methylsulfanylphenyl)-3-pentylurea Traditional Name: 1-amyl-3-[2-hydroxy-6-(methylthio)phenyl]urea Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=CC=C1SC)O

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=CC=C1SC)O

InChI

InChI=1S/C13H20N2O2S/c1-3-4-5-9-14-13(17)15-12-10(16)7-6-8-11(12)18-2/h6-8,16H,3-5,9H2,1-2H3,(H2,14,15,17)