1-(3-methylsulfanylphenyl)-3-pentan-2-yl-urea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-pentan-2-yl-urea Openeye Name: 1-(1-methylbutyl)-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[3-(methylthio)phenyl]-3-pentan-2-ylurea IUPAC Name: 1-(3-methylsulfanylphenyl)-3-pentan-2-ylurea Traditional Name: 1-(1-methylbutyl)-3-[3-(methylthio)phenyl]urea Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)NC1=CC(=CC=C1)SC

Isomeric SMILES

CCCC(C)NC(=O)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C13H20N2OS/c1-4-6-10(2)14-13(16)15-11-7-5-8-12(9-11)17-3/h5,7-10H,4,6H2,1-3H3,(H2,14,15,16)