1-(3-methylbutyl)-3-(2-methyl-5-methylsulfonyl-phenyl)urea

Systemtic Name: 1-(3-methylbutyl)-3-(2-methyl-5-methylsulfonyl-phenyl)urea Openeye Name: 1-isopentyl-3-(2-methyl-5-methylsulfonyl-phenyl)urea CAS Name: 1-(3-methylbutyl)-3-(2-methyl-5-methylsulfonylphenyl)urea IUPAC Name: 1-(3-methylbutyl)-3-(2-methyl-5-methylsulfonylphenyl)urea Traditional Name: 1-isoamyl-3-(5-mesyl-2-methyl-phenyl)urea Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)NCCC(C)C

InChI

InChI=1S/C14H22N2O3S/c1-10(2)7-8-15-14(17)16-13-9-12(20(4,18)19)6-5-11(13)3/h5-6,9-10H,7-8H2,1-4H3,(H2,15,16,17)