1-[2-(2,5-dimethylphenyl)hexyl]-3-(6-methylsulfanylquinolin-5-yl)urea

Systemtic Name: 1-[2-(2,5-dimethylphenyl)hexyl]-3-(6-methylsulfanylquinolin-5-yl)urea Openeye Name: 1-[2-(2,5-dimethylphenyl)hexyl]-3-(6-methylsulfanyl-5-quinolyl)urea CAS Name: 1-[2-(2,5-dimethylphenyl)hexyl]-3-[6-(methylthio)-5-quinolinyl]urea IUPAC Name: 1-[2-(2,5-dimethylphenyl)hexyl]-3-(6-methylsulfanylquinolin-5-yl)urea Traditional Name: 1-[2-(2,5-dimethylphenyl)hexyl]-3-[6-(methylthio)-5-quinolyl]urea Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(=O)NC1=C(C=CC2=C1C=CC=N2)SC)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCC(CNC(=O)NC1=C(C=CC2=C1C=CC=N2)SC)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H31N3OS/c1-5-6-8-19(21-15-17(2)10-11-18(21)3)16-27-25(29)28-24-20-9-7-14-26-22(20)12-13-23(24)30-4/h7,9-15,19H,5-6,8,16H2,1-4H3,(H2,27,28,29)