1-[2-(2-tert-butylphenoxy)-6-methylsulfanyl-pyridin-3-yl]-3-(4-tert-butylphenyl)urea

Systemtic Name: 1-[2-(2-tert-butylphenoxy)-6-methylsulfanyl-pyridin-3-yl]-3-(4-tert-butylphenyl)urea Openeye Name: 1-[2-(2-tert-butylphenoxy)-6-methylsulfanyl-3-pyridyl]-3-(4-tert-butylphenyl)urea CAS Name: 1-[2-(2-tert-butylphenoxy)-6-(methylthio)-3-pyridinyl]-3-(4-tert-butylphenyl)urea IUPAC Name: 1-[2-(2-tert-butylphenoxy)-6-methylsulfanylpyridin-3-yl]-3-(4-tert-butylphenyl)urea Traditional Name: 1-[2-(2-tert-butylphenoxy)-6-(methylthio)-3-pyridyl]-3-(4-tert-butylphenyl)urea Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=C(N=C(C=C2)SC)OC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=C(N=C(C=C2)SC)OC3=CC=CC=C3C(C)(C)C

InChI

InChI=1S/C27H33N3O2S/c1-26(2,3)18-12-14-19(15-13-18)28-25(31)29-21-16-17-23(33-7)30-24(21)32-22-11-9-8-10-20(22)27(4,5)6/h8-17H,1-7H3,(H2,28,29,31)