1-[5-(5-chloranylpentanoyl)-2-methylsulfanyl-phenyl]urea

Systemtic Name: 1-[5-(5-chloranylpentanoyl)-2-methylsulfanyl-phenyl]urea Openeye Name: [5-(5-chloropentanoyl)-2-methylsulfanyl-phenyl]urea CAS Name: [5-(5-chloro-1-oxopentyl)-2-(methylthio)phenyl]urea IUPAC Name: [5-(5-chloropentanoyl)-2-methylsulfanylphenyl]urea Traditional Name: [5-(5-chloropentanoyl)-2-(methylthio)phenyl]urea Formula: C13H17ClN2O2S MolecularWeight: 300.80428

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)CCCCCl)NC(=O)N

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)CCCCCl)NC(=O)N

InChI

InChI=1S/C13H17ClN2O2S/c1-19-12-6-5-9(8-10(12)16-13(15)18)11(17)4-2-3-7-14/h5-6,8H,2-4,7H2,1H3,(H3,15,16,18)