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

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

Systemtic Name:1-[2-(4-methylphenyl)heptyl]-3-(6-methylsulfanylquinolin-5-yl)urea
Openeye Name:1-(6-methylsulfanyl-5-quinolyl)-3-[2-(p-tolyl)heptyl]urea
CAS Name:1-[2-(4-methylphenyl)heptyl]-3-[6-(methylthio)-5-quinolinyl]urea
IUPAC Name:1-[2-(4-methylphenyl)heptyl]-3-(6-methylsulfanylquinolin-5-yl)urea
Traditional Name:1-[6-(methylthio)-5-quinolyl]-3-[2-(p-tolyl)heptyl]urea
Formula: C25H31N3OS
MolecularWeight: 421.59814
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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