1-(6-methylsulfanylquinolin-5-yl)-3-(2-naphthalen-1-ylhexyl)urea

Systemtic Name: 1-(6-methylsulfanylquinolin-5-yl)-3-(2-naphthalen-1-ylhexyl)urea Openeye Name: 1-(6-methylsulfanyl-5-quinolyl)-3-[2-(1-naphthyl)hexyl]urea CAS Name: 1-[6-(methylthio)-5-quinolinyl]-3-[2-(1-naphthalenyl)hexyl]urea IUPAC Name: 1-(6-methylsulfanylquinolin-5-yl)-3-(2-naphthalen-1-ylhexyl)urea Traditional Name: 1-[6-(methylthio)-5-quinolyl]-3-[2-(1-naphthyl)hexyl]urea Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(=O)NC1=C(C=CC2=C1C=CC=N2)SC)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC(CNC(=O)NC1=C(C=CC2=C1C=CC=N2)SC)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H29N3OS/c1-3-4-9-20(22-13-7-11-19-10-5-6-12-21(19)22)18-29-27(31)30-26-23-14-8-17-28-24(23)15-16-25(26)32-2/h5-8,10-17,20H,3-4,9,18H2,1-2H3,(H2,29,30,31)