1-[5-chloranyl-3-(2-methylsulfanylphenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea

Systemtic Name: 1-[5-chloranyl-3-(2-methylsulfanylphenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea Openeye Name: 1-[5-chloro-3-(2-methylsulfanylphenyl)benzofuran-2-yl]-3-(2,6-diethylphenyl)urea CAS Name: 1-[5-chloro-3-[2-(methylthio)phenyl]-2-benzofuranyl]-3-(2,6-diethylphenyl)urea IUPAC Name: 1-[5-chloro-3-(2-methylsulfanylphenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea Traditional Name: 1-[5-chloro-3-[2-(methylthio)phenyl]benzofuran-2-yl]-3-(2,6-diethylphenyl)urea Formula: C26H25ClN2O2S MolecularWeight: 465.0069

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=C(C3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4SC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=C(C3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4SC

InChI

InChI=1S/C26H25ClN2O2S/c1-4-16-9-8-10-17(5-2)24(16)28-26(30)29-25-23(19-11-6-7-12-22(19)32-3)20-15-18(27)13-14-21(20)31-25/h6-15H,4-5H2,1-3H3,(H2,28,29,30)