1-butyl-3-[3-methyl-5-[(3-methylphenyl)methylsulfanyl]-2-oxidanyl-phenyl]urea

Systemtic Name: 1-butyl-3-[3-methyl-5-[(3-methylphenyl)methylsulfanyl]-2-oxidanyl-phenyl]urea Openeye Name: 1-butyl-3-[2-hydroxy-3-methyl-5-(m-tolylmethylsulfanyl)phenyl]urea CAS Name: 1-butyl-3-[2-hydroxy-3-methyl-5-[(3-methylphenyl)methylthio]phenyl]urea IUPAC Name: 1-butyl-3-[2-hydroxy-3-methyl-5-[(3-methylphenyl)methylsulfanyl]phenyl]urea Traditional Name: 1-butyl-3-[2-hydroxy-3-methyl-5-[(3-methylbenzyl)thio]phenyl]urea Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C(=CC(=C1)SCC2=CC=CC(=C2)C)C)O

Isomeric SMILES

CCCCNC(=O)NC1=C(C(=CC(=C1)SCC2=CC=CC(=C2)C)C)O

InChI

InChI=1S/C20H26N2O2S/c1-4-5-9-21-20(24)22-18-12-17(11-15(3)19(18)23)25-13-16-8-6-7-14(2)10-16/h6-8,10-12,23H,4-5,9,13H2,1-3H3,(H2,21,22,24)