1-[2-(2,4-dimethylphenyl)heptyl]-3-(6-methylsulfanylquinolin-5-yl)urea

Systemtic Name: 1-[2-(2,4-dimethylphenyl)heptyl]-3-(6-methylsulfanylquinolin-5-yl)urea Openeye Name: 1-[2-(2,4-dimethylphenyl)heptyl]-3-(6-methylsulfanyl-5-quinolyl)urea CAS Name: 1-[2-(2,4-dimethylphenyl)heptyl]-3-[6-(methylthio)-5-quinolinyl]urea IUPAC Name: 1-[2-(2,4-dimethylphenyl)heptyl]-3-(6-methylsulfanylquinolin-5-yl)urea Traditional Name: 1-[2-(2,4-dimethylphenyl)heptyl]-3-[6-(methylthio)-5-quinolyl]urea Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3OS/c1-5-6-7-9-20(21-12-11-18(2)16-19(21)3)17-28-26(30)29-25-22-10-8-15-27-23(22)13-14-24(25)31-4/h8,10-16,20H,5-7,9,17H2,1-4H3,(H2,28,29,30)