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

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

Systemtic Name:1-[2-(3-methylphenyl)heptyl]-3-(6-pentylsulfanylquinolin-5-yl)urea
Openeye Name:1-[2-(m-tolyl)heptyl]-3-(6-pentylsulfanyl-5-quinolyl)urea
CAS Name:1-[2-(3-methylphenyl)heptyl]-3-[6-(pentylthio)-5-quinolinyl]urea
IUPAC Name:1-[2-(3-methylphenyl)heptyl]-3-(6-pentylsulfanylquinolin-5-yl)urea
Traditional Name:1-[6-(amylthio)-5-quinolyl]-3-[2-(m-tolyl)heptyl]urea
Formula: C29H39N3OS
MolecularWeight: 477.70446
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H39N3OS/c1-4-6-8-13-24(23-14-10-12-22(3)20-23)21-31-29(33)32-28-25-15-11-18-30-26(25)16-17-27(28)34-19-9-7-5-2/h10-12,14-18,20,24H,4-9,13,19,21H2,1-3H3,(H2,31,32,33)


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