1-[(4-methylsulfanylphenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-3-(1,1,3,3-tetramethylbutyl)urea CAS Name: 1-[[4-(methylthio)phenyl]methyl]-3-(2,4,4-trimethylpentan-2-yl)urea IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea Traditional Name: 1-[4-(methylthio)benzyl]-3-(1,1,3,3-tetramethylbutyl)urea Formula: C17H28N2OS MolecularWeight: 308.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)NCC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)NCC1=CC=C(C=C1)SC

InChI

InChI=1S/C17H28N2OS/c1-16(2,3)12-17(4,5)19-15(20)18-11-13-7-9-14(21-6)10-8-13/h7-10H,11-12H2,1-6H3,(H2,18,19,20)