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

Systemtic Name: 1-butyl-3-[3-ethyl-5-[(3-methylphenyl)methylsulfanyl]-2-oxidanyl-phenyl]urea Openeye Name: 1-butyl-3-[3-ethyl-2-hydroxy-5-(m-tolylmethylsulfanyl)phenyl]urea CAS Name: 1-butyl-3-[3-ethyl-2-hydroxy-5-[(3-methylphenyl)methylthio]phenyl]urea IUPAC Name: 1-butyl-3-[3-ethyl-2-hydroxy-5-[(3-methylphenyl)methylsulfanyl]phenyl]urea Traditional Name: 1-butyl-3-[3-ethyl-2-hydroxy-5-[(3-methylbenzyl)thio]phenyl]urea Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-4-6-10-22-21(25)23-19-13-18(12-17(5-2)20(19)24)26-14-16-9-7-8-15(3)11-16/h7-9,11-13,24H,4-6,10,14H2,1-3H3,(H2,22,23,25)